*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUN-03 1PQX *TITLE SOLUTION STRUCTURE OF THE HYPOTHETICAL STAPHYLOCOCCUS *TITLE 2 AUREUS PROTEIN SAV1430. NORTHEST STRUCUTRAL GENOMICS *TITLE 3 CONSORTIUM TARGET ZR18 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: HYPOTHETICAL PROTEIN MW1320; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: ZR18 *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 VARIANT: SUBSP. AUREUS MU50; *SOURCE 5 GENE: SAV1430; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21MGK; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET21; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: ZR18-21 *KEYWDS ZR18,NMR STRUCTURE, AUTOSTRUCTURE,SPINS,AUTOASSIGN, *KEYWDS 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, STRUCTURAL *KEYWDS 3 GENOMICS, PROTEIN STRUCTURE INITIATIVE *EXPDTA NMR, 10 STRUCTURES *AUTHOR M.C.BARAN, J.M.ARAMINI, R.XIAO, Y.J.HUANG, T.B.ACTON, *AUTHOR 2 L.SHIH, G.T.MONTELIONE *REVDAT 2 28-SEP-04 1PQX 1 AUTHOR SENT UPDATED CONSTRAINTS *REVDAT 1 07-SEP-04 1PQX 0 ---------------------------------- ! -- Angle constraint file built by HYPER -- X-Plor | Cns format ! -- from data in file ZR18.hyp ! -- Version: 3.2 2002/04/18[Linux] (Compiled on: troberto.quifis.uv.es) assign (segid A and resid 2 and name C ) (segid A and resid 3 and name N ) (segid A and resid 3 and name CA ) (segid A and resid 3 and name C ) 1 -40.00 130.00 2 assign (segid A and resid 3 and name C ) (segid A and resid 4 and name N ) (segid A and resid 4 and name CA ) (segid A and resid 4 and name C ) 1 -120.00 35.00 2 assign (segid A and resid 4 and name C ) (segid A and resid 5 and name N ) (segid A and resid 5 and name CA ) (segid A and resid 5 and name C ) 1 -35.00 145.00 2 assign (segid A and resid 5 and name C ) (segid A and resid 6 and name N ) (segid A and resid 6 and name CA ) (segid A and resid 6 and name C ) 1 -42.50 117.50 2 assign (segid A and resid 6 and name C ) (segid A and resid 7 and name N ) (segid A and resid 7 and name CA ) (segid A and resid 7 and name C ) 1 -47.50 112.50 2 assign (segid A and resid 8 and name C ) (segid A and resid 9 and name N ) (segid A and resid 9 and name CA ) (segid A and resid 9 and name C ) 1 -120.00 40.00 2 assign (segid A and resid 10 and name C ) (segid A and resid 11 and name N ) (segid A and resid 11 and name CA ) (segid A and resid 11 and name C ) 1 -120.00 40.00 2 assign 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(segid A and resid 45 and name CA ) (segid A and resid 45 and name C ) (segid A and resid 46 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 45 and name C ) (segid A and resid 46 and name N ) (segid A and resid 46 and name CA ) (segid A and resid 46 and name C ) 1 -65.00 35.00 2 assign (segid A and resid 46 and name N ) (segid A and resid 46 and name CA ) (segid A and resid 46 and name C ) (segid A and resid 47 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 46 and name C ) (segid A and resid 47 and name N ) (segid A and resid 47 and name CA ) (segid A and resid 47 and name C ) 1 -85.00 15.00 2 assign (segid A and resid 47 and name N ) (segid A and resid 47 and name CA ) (segid A and resid 47 and name C ) (segid A and resid 48 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 47 and name C ) (segid A and resid 48 and name N ) (segid A and resid 48 and name CA ) (segid A and resid 48 and name C ) 1 -35.00 145.00 2 assign (segid A and resid 48 and name C ) (segid A 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name N ) (segid A and resid 63 and name CA ) (segid A and resid 63 and name C ) 1 -120.00 40.00 2 assign (segid A and resid 63 and name N ) (segid A and resid 63 and name CA ) (segid A and resid 63 and name C ) (segid A and resid 64 and name N ) 1 120.00 60.00 2 assign (segid A and resid 63 and name C ) (segid A and resid 64 and name N ) (segid A and resid 64 and name CA ) (segid A and resid 64 and name C ) 1 -125.00 55.00 2 assign (segid A and resid 64 and name N ) (segid A and resid 64 and name CA ) (segid A and resid 64 and name C ) (segid A and resid 65 and name N ) 1 120.00 60.00 2 assign (segid A and resid 68 and name C ) (segid A and resid 69 and name N ) (segid A and resid 69 and name CA ) (segid A and resid 69 and name C ) 1 -42.50 122.50 2 assign (segid A and resid 69 and name C ) (segid A and resid 70 and name N ) (segid A and resid 70 and name CA ) (segid A and resid 70 and name C ) 1 -120.00 35.00 2 assign (segid A and resid 70 and name C ) (segid A and resid 71 and name N 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and resid 74 and name CA ) (segid A and resid 74 and name C ) 1 -65.00 35.00 2 assign (segid A and resid 74 and name N ) (segid A and resid 74 and name CA ) (segid A and resid 74 and name C ) (segid A and resid 75 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 74 and name C ) (segid A and resid 75 and name N ) (segid A and resid 75 and name CA ) (segid A and resid 75 and name C ) 1 -65.00 35.00 2 assign (segid A and resid 75 and name N ) (segid A and resid 75 and name CA ) (segid A and resid 75 and name C ) (segid A and resid 76 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 76 and name C ) (segid A and resid 77 and name N ) (segid A and resid 77 and name CA ) (segid A and resid 77 and name C ) 1 -80.00 20.00 2 assign (segid A and resid 77 and name N ) (segid A and resid 77 and name CA ) (segid A and resid 77 and name C ) (segid A and resid 78 and name N ) 1 -35.00 40.00 2 assign (segid A and resid 77 and name C ) (segid A and resid 78 and name N ) (segid A and resid 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name CA ) (segid A and resid 81 and name C ) 1 60.00 135.00 2 assign (segid A and resid 81 and name C ) (segid A and resid 82 and name N ) (segid A and resid 82 and name CA ) (segid A and resid 82 and name C ) 1 -40.00 130.00 2 assign (segid A and resid 82 and name C ) (segid A and resid 83 and name N ) (segid A and resid 83 and name CA ) (segid A and resid 83 and name C ) 1 -40.00 135.00 2 assign (segid A and resid 83 and name C ) (segid A and resid 84 and name N ) (segid A and resid 84 and name CA ) (segid A and resid 84 and name C ) 1 -40.00 140.00 2 assign (segid A and resid 84 and name C ) (segid A and resid 85 and name N ) (segid A and resid 85 and name CA ) (segid A and resid 85 and name C ) 1 -37.50 142.50 2 assign (segid A and resid 86 and name C ) (segid A and resid 87 and name N ) (segid A and resid 87 and name CA ) (segid A and resid 87 and name C ) 1 -40.00 125.00 2 !Manual Input ! ! ACO file produced by PDBStat ! Version: 3.32 *DEVEL* 2003-05-23 (vaio1.cabm.rutgers.edu) ! dihedral assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) 1.0 -123.61 60.40 2 assign (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) (resid 3 and name N ) 1.0 -169.12 145.66 2 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -147.80 115.00 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 178.49 112.11 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -110.70 90.24 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 -174.19 112.73 2 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -119.50 60.08 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 -177.00 101.06 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -121.17 55.44 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -168.64 98.75 2 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) 1.0 -113.12 97.32 2 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 -174.18 98.65 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -110.88 99.00 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 -170.46 91.82 2 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -97.27 94.20 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 -165.02 113.79 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -99.43 61.16 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 -163.21 127.43 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 176.86 106.40 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -106.36 51.12 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 -173.52 113.48 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -89.97 67.48 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -157.35 171.62 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -79.98 68.20 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 -52.12 58.67 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -66.68 23.24 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 -53.64 20.08 2 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 -62.02 23.96 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 -52.71 16.21 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -65.91 26.64 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 -53.83 20.81 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 -64.39 29.76 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 -51.03 13.24 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 -80.11 78.12 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 -158.60 137.61 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -81.10 69.52 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 -155.91 127.49 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -131.75 45.88 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 177.07 139.38 2 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) 1.0 -116.11 68.00 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 -173.86 93.62 2 assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) 1.0 -117.32 93.48 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 1.0 -172.16 114.52 2 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) 1.0 -117.09 95.20 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 -167.26 134.16 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -134.29 62.72 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 -169.45 97.36 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -120.67 81.84 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 -170.98 122.51 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 -122.08 61.96 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) (resid 64 and name N ) 1.0 -178.54 95.21 2 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -106.32 95.68 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 -164.46 116.06 2 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 -77.56 89.12 2 assign (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 1.0 -144.54 134.54 2 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 -60.42 39.24 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 -45.59 22.69 2 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -93.33 67.04 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 -43.58 9.29 2 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) 1.0 -103.05 74.44 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 1.0 -168.32 145.39 2 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) 1.0 -66.99 32.68 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) (resid 73 and name N ) 1.0 -51.97 29.30 2 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) 1.0 -66.97 44.36 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 1.0 -53.08 6.67 2 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) 1.0 -67.55 21.20 2 assign (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) (resid 75 and name N ) 1.0 -54.17 14.69 2 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) 1.0 -67.02 17.48 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 1.0 -48.65 15.03 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 -48.25 16.45 2 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) 1.0 -68.13 17.92 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 -55.42 13.96 2 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 -67.46 38.96 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 -54.88 21.26 2 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) 1.0 -61.86 25.92 2 assign (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) (resid 80 and name N ) 1.0 -48.83 30.18 2 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 -65.91 23.04 2 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 1.0 -53.62 19.07 2 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 -71.46 30.12 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 -52.53 22.12 2 assign (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) 1.0 -76.29 43.48 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) (resid 87 and name N ) 1.0 -154.03 157.42 2 end !END Manual Input ! created by NOESY_Assign Version 2.0b Copyright(C) 1995-2003 assign (resid 5 and name O )(resid 18 and name N ) 2.80 0.4 0.5 assign (resid 5 and name O )(resid 18 and name HN ) 1.8 0.3 0.5 assign (resid 13 and name O )(resid 65 and name N ) 2.80 0.4 0.5 assign (resid 13 and name O )(resid 65 and name HN ) 1.8 0.3 0.5 assign (resid 15 and name O )(resid 63 and name N ) 2.80 0.4 0.5 assign (resid 15 and name O )(resid 63 and name HN ) 1.8 0.3 0.5 assign (resid 17 and name O )(resid 61 and name N ) 2.80 0.4 0.5 assign (resid 17 and name O )(resid 61 and name HN ) 1.8 0.3 0.5 assign (resid 18 and name O )(resid 4 and name N ) 2.80 0.4 0.5 assign (resid 18 and name O )(resid 4 and name HN ) 1.8 0.3 0.5 assign (resid 29 and name O )(resid 56 and name N ) 2.80 0.4 0.5 assign (resid 29 and name O )(resid 56 and name HN ) 1.8 0.3 0.5 assign (resid 31 and name O )(resid 54 and name N ) 2.80 0.4 0.5 assign (resid 31 and name O )(resid 54 and name HN ) 1.8 0.3 0.5 assign (resid 39 and name O )(resid 42 and name N ) 2.80 0.4 0.5 assign (resid 39 and name O )(resid 42 and name HN ) 1.8 0.3 0.5 assign (resid 40 and name O )(resid 43 and name N ) 2.80 0.4 0.5 assign (resid 40 and name O )(resid 43 and name HN ) 1.8 0.3 0.5 assign (resid 42 and name O )(resid 46 and name N ) 2.80 0.4 0.5 assign (resid 42 and name O )(resid 46 and name HN ) 1.8 0.3 0.5 assign (resid 43 and name O )(resid 47 and name N ) 2.80 0.4 0.5 assign (resid 43 and name O )(resid 47 and name HN ) 1.8 0.3 0.5 assign (resid 45 and name O )(resid 48 and name N ) 2.80 0.4 0.5 assign (resid 45 and name O )(resid 48 and name HN ) 1.8 0.3 0.5 assign (resid 48 and name O )(resid 51 and name N ) 2.80 0.4 0.5 assign (resid 48 and name O )(resid 51 and name HN ) 1.8 0.3 0.5 assign (resid 50 and name O )(resid 66 and name N ) 2.80 0.4 0.5 assign (resid 50 and name O )(resid 66 and name HN ) 1.8 0.3 0.5 assign (resid 53 and name O )(resid 64 and name N ) 2.80 0.4 0.5 assign (resid 53 and name O )(resid 64 and name HN ) 1.8 0.3 0.5 assign (resid 54 and name O )(resid 31 and name N ) 2.80 0.4 0.5 assign (resid 54 and name O )(resid 31 and name HN ) 1.8 0.3 0.5 assign (resid 55 and name O )(resid 62 and name N ) 2.80 0.4 0.5 assign (resid 55 and name O )(resid 62 and name HN ) 1.8 0.3 0.5 assign (resid 56 and name O )(resid 29 and name N ) 2.80 0.4 0.5 assign (resid 56 and name O )(resid 29 and name HN ) 1.8 0.3 0.5 assign (resid 57 and name O )(resid 60 and name N ) 2.80 0.4 0.5 assign (resid 57 and name O )(resid 60 and name HN ) 1.8 0.3 0.5 assign (resid 60 and name O )(resid 57 and name N ) 2.80 0.4 0.5 assign (resid 60 and name O )(resid 57 and name HN ) 1.8 0.3 0.5 assign (resid 61 and name O )(resid 17 and name N ) 2.80 0.4 0.5 assign (resid 61 and name O )(resid 17 and name HN ) 1.8 0.3 0.5 assign (resid 62 and name O )(resid 55 and name N ) 2.80 0.4 0.5 assign (resid 62 and name O )(resid 55 and name HN ) 1.8 0.3 0.5 assign (resid 63 and name O )(resid 15 and name N ) 2.80 0.4 0.5 assign (resid 63 and name O )(resid 15 and name HN ) 1.8 0.3 0.5 assign (resid 64 and name O )(resid 53 and name N ) 2.80 0.4 0.5 assign (resid 64 and name O )(resid 53 and name HN ) 1.8 0.3 0.5 assign (resid 71 and name O )(resid 75 and name N ) 2.80 0.4 0.5 assign (resid 71 and name O )(resid 75 and name HN ) 1.8 0.3 0.5 assign (resid 75 and name O )(resid 79 and name N ) 2.80 0.4 0.5 assign (resid 75 and name O )(resid 79 and name HN ) 1.8 0.3 0.5 assign (resid 78 and name O )(resid 81 and name N ) 2.80 0.4 0.5 assign (resid 78 and name O )(resid 81 and name HN ) 1.8 0.3 0.5 ! created by NOESY_Assign Version 2.0b Copyright(C) 1995-2003 !M1 !assign (resid 1 and name HA )(resid 1 and name HB2 ) 4.0 2.2 1.0 !assign (resid 1 and name HA )(resid 1 and name HB1 ) 4.0 2.2 1.0 assign (resid 1 and name HA )(resid 1 and name HG2 ) 4.0 2.2 1.0 assign (resid 1 and name HA )(resid 1 and name HG1 ) 4.0 2.2 1.0 assign (resid 1 and name HA )(resid 2 and name HN ) 3.0 1.2 0.5 assign (resid 1 and name HA )(resid 20 and name HB# ) 4.0 2.2 2.0 assign (resid 1 and name HA )(resid 26 and name HE# ) 4.0 2.2 2.0 !assign (resid 1 and name HB2 )(resid 1 and name HG# ) 4.0 2.2 2.0 !assign (resid 1 and name HB1 )(resid 1 and name HG# ) 4.0 2.2 2.0 assign (resid 1 and name HB# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 1 and name HG# )(resid 2 and name HN ) 4.0 2.2 2.0 assign (resid 1 and name HG# )(resid 19 and name HD2# ) 4.0 2.2 3.0 assign (resid 1 and name HG# )(resid 20 and name HN ) 4.0 2.2 2.0 assign (resid 1 and name HG2 )(resid 26 and name HE# ) 4.0 2.2 2.0 assign (resid 1 and name HG1 )(resid 26 and name HE# ) 4.0 2.2 2.0 !K2 assign (resid 2 and name HN )(resid 2 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 3 and name HN ) 2.5 0.7 0.4 !assign (resid 2 and name HB2 )(resid 2 and name HB1 ) 3.0 1.2 0.5 !assign (resid 2 and name HB1 )(resid 2 and name HB2 ) 3.0 1.2 0.5 !assign (resid 2 and name HB2 )(resid 2 and name HG# ) 4.0 2.2 2.0 !assign (resid 2 and name HB1 )(resid 2 and name HG# ) 4.0 2.2 2.0 assign (resid 2 and name HB# )(resid 2 and name HD# ) 4.0 2.2 3.0 assign (resid 2 and name HB# )(resid 2 and name HE# ) 4.0 2.2 3.0 assign (resid 2 and name HB# )(resid 3 and name HN ) 4.0 2.2 2.0 assign (resid 2 and name HB# )(resid 83 and name HG# ) 4.0 2.2 3.0 !assign (resid 2 and name HG2 )(resid 2 and name HD2 ) 4.0 2.2 1.0 !assign (resid 2 and name HG2 )(resid 2 and name HD1 ) 4.0 2.2 1.0 !assign (resid 2 and name HG1 )(resid 2 and name HD2 ) 4.0 2.2 1.0 !assign (resid 2 and name HG1 )(resid 2 and name HD1 ) 4.0 2.2 1.0 assign (resid 2 and name HG2 )(resid 2 and name HE# ) 4.0 2.2 2.0 assign (resid 2 and name HG1 )(resid 2 and name HE# ) 4.0 2.2 2.0 assign (resid 2 and name HG# )(resid 82 and name HB# ) 4.0 2.2 3.0 !assign (resid 2 and name HD2 )(resid 2 and name HE# ) 4.0 2.2 2.0 !assign (resid 2 and name HD1 )(resid 2 and name HE# ) 4.0 2.2 2.0 assign (resid 2 and name HD# )(resid 83 and name HB# ) 4.0 2.2 3.0 assign (resid 2 and name HE# )(resid 4 and name HD1# ) 4.0 2.2 3.0 !I3 assign (resid 3 and name HN )(resid 3 and name HA ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 3 and name HB ) 3.0 1.2 0.5 assign (resid 3 and name HN )(resid 3 and name HG12 ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 3 and name HG11 ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 3 and name HG2# ) 4.0 2.2 2.0 assign (resid 3 and name HN )(resid 3 and name HD1# ) 4.0 2.2 2.0 assign (resid 3 and name HN )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 3 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 82 and name HB1 ) 4.0 2.2 1.0 !assign (resid 3 and name HA )(resid 3 and name HB ) 4.0 2.2 1.0 assign (resid 3 and name HA )(resid 3 and name HG12 ) 4.0 2.2 1.0 assign (resid 3 and name HA )(resid 3 and name HG11 ) 4.0 2.2 1.0 assign (resid 3 and name HA )(resid 3 and name HG2# ) 4.0 2.2 1.6 assign (resid 3 and name HA )(resid 3 and name HD1# ) 4.0 2.2 2.0 assign (resid 3 and name HA )(resid 4 and name HN ) 3.0 1.2 0.5 assign (resid 3 and name HA )(resid 4 and name HB ) 4.0 2.2 1.0 assign (resid 3 and name HA )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 3 and name HA )(resid 17 and name HG2# ) 4.0 2.2 2.0 assign (resid 3 and name HA )(resid 19 and name HD2# ) 4.0 2.2 2.0 !assign (resid 3 and name HB )(resid 3 and name HG12 ) 4.0 2.2 1.0 !assign (resid 3 and name HB )(resid 3 and name HG11 ) 4.0 2.2 1.0 !assign (resid 3 and name HB )(resid 3 and name HG2# ) 4.0 2.2 2.0 assign (resid 3 and name HB )(resid 3 and name HD1# ) 4.0 2.2 2.0 !assign (resid 3 and name HG12 )(resid 3 and name HG11 ) 4.0 2.2 1.0 !assign (resid 3 and name HG11 )(resid 3 and name HG12 ) 4.0 2.2 1.0 assign (resid 3 and name HG1# )(resid 3 and name HG2# ) 4.0 2.2 3.0 !assign (resid 3 and name HG12 )(resid 3 and name HD1# ) 4.0 2.2 2.0 !assign (resid 3 and name HG11 )(resid 3 and name HD1# ) 4.0 2.2 2.0 assign (resid 3 and name HG1# )(resid 4 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HG1# )(resid 4 and name HD1# ) 4.0 2.2 3.0 assign (resid 3 and name HG1# )(resid 17 and name HG1# ) 4.0 2.2 3.0 assign (resid 3 and name HG1# )(resid 17 and name HG2# ) 4.0 2.2 3.0 assign (resid 3 and name HG1# )(resid 19 and name HD2# ) 4.0 2.2 3.0 assign (resid 3 and name HG1# )(resid 82 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HG1# )(resid 82 and name HB2 ) 4.0 2.2 2.0 assign (resid 3 and name HG1# )(resid 82 and name HB1 ) 4.0 2.2 2.0 assign (resid 3 and name HG1# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 3 and name HG2# )(resid 3 and name HD1# ) 4.0 2.2 3.0 assign (resid 3 and name HG2# )(resid 4 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HG2# )(resid 4 and name HA ) 4.0 2.2 2.0 assign (resid 3 and name HG2# )(resid 4 and name HG1# ) 4.0 2.2 3.0 assign (resid 3 and name HG2# )(resid 5 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HG2# )(resid 6 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HG2# )(resid 6 and name HG1# ) 4.0 2.2 3.0 assign (resid 3 and name HG2# )(resid 18 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 79 and name HA ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 79 and name HG2 ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 79 and name HG1 ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 82 and name HN ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 82 and name HB2 ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 82 and name HB1 ) 4.0 2.2 2.0 assign (resid 3 and name HD1# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 3 and name HD1# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 3 and name HD1# )(resid 82 and name HZ ) 4.0 2.2 2.0 !I4 assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HB ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 4 and name HG12 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HG11 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HG2# ) 4.0 2.2 2.0 assign (resid 4 and name HN )(resid 4 and name HD1# ) 4.0 2.2 2.0 assign (resid 4 and name HN )(resid 5 and name HN ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 18 and name HB ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 19 and name HD2# ) 4.0 2.2 2.0 !assign (resid 4 and name HA )(resid 4 and name HB ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 4 and name HG12 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 4 and name HG11 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 4 and name HG2# ) 4.0 2.2 1.6 assign (resid 4 and name HA )(resid 4 and name HD1# ) 4.0 2.2 2.0 assign (resid 4 and name HA )(resid 5 and name HN ) 4.0 2.2 1.0 !assign (resid 4 and name HB )(resid 4 and name HG12 ) 4.0 2.2 1.0 !assign (resid 4 and name HB )(resid 4 and name HG11 ) 4.0 2.2 1.0 !assign (resid 4 and name HB )(resid 4 and name HG2# ) 4.0 2.2 2.0 assign (resid 4 and name HB )(resid 4 and name HD1# ) 4.0 2.2 2.0 assign (resid 4 and name HB )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HB )(resid 5 and name HB# ) 4.0 2.2 2.0 assign (resid 4 and name HB )(resid 18 and name HB ) 4.0 2.2 1.0 assign (resid 4 and name HB )(resid 18 and name HG2# ) 4.0 2.2 2.0 !assign (resid 4 and name HG12 )(resid 4 and name HG11 ) 4.0 2.2 1.0 !assign (resid 4 and name HG11 )(resid 4 and name HG12 ) 4.0 2.2 1.0 assign (resid 4 and name HG1# )(resid 4 and name HG2# ) 4.0 2.2 3.0 !assign (resid 4 and name HG12 )(resid 4 and name HD1# ) 4.0 2.2 2.0 !assign (resid 4 and name HG11 )(resid 4 and name HD1# ) 4.0 2.2 2.0 assign (resid 4 and name HG12 )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HG11 )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HG12 )(resid 18 and name HG2# ) 4.0 2.2 2.0 assign (resid 4 and name HG11 )(resid 18 and name HG2# ) 4.0 2.2 2.0 assign (resid 4 and name HG12 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HG11 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HG12 )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HG11 )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HG2# )(resid 5 and name HN ) 4.0 2.2 2.0 assign (resid 4 and name HG2# )(resid 5 and name HB# ) 4.0 2.2 3.0 assign (resid 4 and name HG2# )(resid 18 and name HB ) 4.0 2.2 2.0 assign (resid 4 and name HG2# )(resid 18 and name HG2# ) 4.0 2.2 3.0 assign (resid 4 and name HD1# )(resid 18 and name HG2# ) 4.0 2.2 3.0 assign (resid 4 and name HD1# )(resid 20 and name HN ) 4.0 2.2 2.0 assign (resid 4 and name HD1# )(resid 20 and name HA ) 4.0 2.2 2.0 assign (resid 4 and name HD1# )(resid 20 and name HB# ) 4.0 2.2 3.0 !S5 assign (resid 5 and name HN )(resid 5 and name HA ) 3.0 1.2 0.5 assign (resid 5 and name HN )(resid 5 and name HB# ) 4.0 2.2 2.0 assign (resid 5 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 18 and name HB ) 3.0 1.2 0.5 assign (resid 5 and name HN )(resid 18 and name HG2# ) 4.0 2.2 2.0 !assign (resid 5 and name HA )(resid 5 and name HB# ) 4.0 2.2 2.0 assign (resid 5 and name HA )(resid 6 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HB# )(resid 6 and name HN ) 4.0 2.2 2.0 assign (resid 5 and name HB# )(resid 18 and name HG2# ) 4.0 2.2 3.0 !I6 assign (resid 6 and name HN )(resid 6 and name HA ) 3.0 1.2 0.5 assign (resid 6 and name HN )(resid 6 and name HB ) 3.0 1.2 0.5 assign (resid 6 and name HN )(resid 6 and name HG1# ) 4.0 2.2 2.0 assign (resid 6 and name HN )(resid 6 and name HG2# ) 4.0 2.2 2.0 assign (resid 6 and name HN )(resid 6 and name HD1# ) 4.0 2.2 2.0 assign (resid 6 and name HA )(resid 7 and name HN ) 2.5 0.7 0.4 !assign (resid 6 and name HB )(resid 6 and name HG12 ) 4.0 2.2 1.0 !assign (resid 6 and name HB )(resid 6 and name HG11 ) 4.0 2.2 1.0 !assign (resid 6 and name HB )(resid 6 and name HG2# ) 4.0 2.2 2.0 assign (resid 6 and name HB )(resid 6 and name HD1# ) 4.0 2.2 2.0 assign (resid 6 and name HB )(resid 7 and name HN ) 4.0 2.2 1.0 !assign (resid 6 and name HG12 )(resid 6 and name HG11 ) 4.0 2.2 1.0 !assign (resid 6 and name HG11 )(resid 6 and name HG12 ) 4.0 2.2 1.0 assign (resid 6 and name HG12 )(resid 6 and name HG2# ) 4.0 2.2 2.0 assign (resid 6 and name HG11 )(resid 6 and name HG2# ) 4.0 2.2 2.0 !assign (resid 6 and name HG12 )(resid 6 and name HD1# ) 4.0 2.2 2.0 !assign (resid 6 and name HG11 )(resid 6 and name HD1# ) 4.0 2.2 2.0 assign (resid 6 and name HG1# )(resid 15 and name HB# ) 4.0 2.2 3.0 assign (resid 6 and name HG1# )(resid 17 and name HG1# ) 4.0 2.2 3.0 assign (resid 6 and name HG2# )(resid 7 and name HN ) 4.0 2.2 2.0 assign (resid 6 and name HG2# )(resid 7 and name HB# ) 4.0 2.2 3.0 assign (resid 6 and name HG2# )(resid 8 and name HN ) 4.0 2.2 2.0 assign (resid 6 and name HG2# )(resid 15 and name HB# ) 4.0 2.2 3.0 assign (resid 6 and name HG2# )(resid 15 and name HG2 ) 4.0 2.2 2.0 assign (resid 6 and name HG2# )(resid 15 and name HG1 ) 4.0 2.2 2.0 assign (resid 6 and name HG2# )(resid 15 and name HE# ) 4.0 2.2 3.0 assign (resid 6 and name HG2# )(resid 16 and name HN ) 4.0 2.2 2.0 assign (resid 6 and name HD1# )(resid 7 and name HN ) 4.0 2.2 2.0 !S7 assign (resid 7 and name HN )(resid 7 and name HA ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 7 and name HB2 ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 7 and name HB1 ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 15 and name HB# ) 4.0 2.2 2.0 assign (resid 7 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HA )(resid 8 and name HN ) 2.5 0.7 0.4 assign (resid 7 and name HB2 )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB1 )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB2 )(resid 16 and name HB# ) 4.0 2.2 2.0 assign (resid 7 and name HB1 )(resid 16 and name HB# ) 4.0 2.2 2.0 assign (resid 7 and name HB# )(resid 16 and name HD# ) 4.0 2.2 3.0 !E8 assign (resid 8 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 8 and name HB2 ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 8 and name HB1 ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 8 and name HG# ) 4.0 2.2 2.0 assign (resid 8 and name HN )(resid 9 and name HG2# ) 4.0 2.2 2.0 assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.4 assign (resid 8 and name HB2 )(resid 9 and name HN ) 3.0 1.2 0.5 assign (resid 8 and name HB1 )(resid 9 and name HN ) 3.0 1.2 0.5 assign (resid 8 and name HG# )(resid 9 and name HN ) 4.0 2.2 2.0 !T9 assign (resid 9 and name HN )(resid 9 and name HA ) 4.0 2.2 1.0 assign (resid 9 and name HN )(resid 9 and name HG2# ) 4.0 2.2 2.0 assign (resid 9 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0 assign (resid 9 and name HN )(resid 10 and name HD2 ) 4.0 2.2 1.0 assign (resid 9 and name HN )(resid 10 and name HD1 ) 4.0 2.2 1.0 !assign (resid 9 and name HB )(resid 9 and name HG2# ) 4.0 2.2 2.0 assign (resid 9 and name HB )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HG2# )(resid 10 and name HA ) 4.0 2.2 2.0 assign (resid 9 and name HG2# )(resid 10 and name HB# ) 4.0 2.2 3.0 assign (resid 9 and name HG2# )(resid 10 and name HD# ) 4.0 2.2 3.0 assign (resid 9 and name HG2# )(resid 11 and name HN ) 4.0 2.2 2.0 !P10 !assign (resid 10 and name HA )(resid 10 and name HB# ) 4.0 2.2 2.0 assign (resid 10 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0 !assign (resid 10 and name HB2 )(resid 10 and name HB1 ) 2.5 0.7 0.4 !assign (resid 10 and name HB1 )(resid 10 and name HB2 ) 2.5 0.7 0.4 !assign (resid 10 and name HB# )(resid 10 and name HG2 ) 4.0 2.2 2.0 !assign (resid 10 and name HB# )(resid 10 and name HG1 ) 4.0 2.2 2.0 !assign (resid 10 and name HB# )(resid 10 and name HD# ) 4.0 2.2 3.0 assign (resid 10 and name HB2 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HB1 )(resid 11 and name HN ) 4.0 2.2 1.0 !assign (resid 10 and name HG2 )(resid 10 and name HD# ) 4.0 2.2 2.0 !assign (resid 10 and name HG1 )(resid 10 and name HD# ) 4.0 2.2 2.0 assign (resid 10 and name HG2 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HG1 )(resid 11 and name HN ) 4.0 2.2 1.0 !assign (resid 10 and name HD2 )(resid 10 and name HD1 ) 4.0 2.2 1.0 !assign (resid 10 and name HD1 )(resid 10 and name HD2 ) 4.0 2.2 1.0 assign (resid 10 and name HD2 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HD1 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HD# )(resid 11 and name HB# ) 4.0 2.2 3.0 !N11 assign (resid 11 and name HN )(resid 11 and name HA ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 11 and name HB2 ) 3.0 1.2 0.5 assign (resid 11 and name HN )(resid 11 and name HB1 ) 3.0 1.2 0.5 assign (resid 11 and name HB2 )(resid 11 and name HD21 ) 4.0 2.2 1.0 assign (resid 11 and name HB1 )(resid 11 and name HD21 ) 4.0 2.2 1.0 !assign (resid 11 and name HD21 )(resid 11 and name HD22 ) 4.0 2.2 1.0 !assign (resid 11 and name HD22 )(resid 11 and name HD21 ) 4.0 2.2 1.0 !H12 assign (resid 12 and name HA )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HA )(resid 71 and name HE1 ) 4.0 2.2 1.0 assign (resid 12 and name HB# )(resid 12 and name HD2 ) 4.0 2.2 2.0 assign (resid 12 and name HD2 )(resid 71 and name HE1 ) 4.0 2.2 1.0 !N13 assign (resid 13 and name HN )(resid 13 and name HA ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HB2 ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HB1 ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5 assign (resid 13 and name HA )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 65 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 71 and name HE1 ) 4.0 2.2 1.0 !assign (resid 13 and name HB2 )(resid 13 and name HB1 ) 2.5 0.7 0.4 !assign (resid 13 and name HB1 )(resid 13 and name HB2 ) 2.5 0.7 0.4 assign (resid 13 and name HB2 )(resid 13 and name HD21 ) 4.0 2.2 1.0 assign (resid 13 and name HB2 )(resid 13 and name HD22 ) 4.0 2.2 1.0 assign (resid 13 and name HB1 )(resid 13 and name HD21 ) 4.0 2.2 1.0 assign (resid 13 and name HB1 )(resid 13 and name HD22 ) 4.0 2.2 1.0 assign (resid 13 and name HB# )(resid 14 and name HN ) 4.0 2.2 2.0 assign (resid 13 and name HB2 )(resid 65 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HB1 )(resid 65 and name HN ) 4.0 2.2 1.0 !assign (resid 13 and name HD21 )(resid 13 and name HD22 ) 4.0 2.2 1.0 !assign (resid 13 and name HD22 )(resid 13 and name HD21 ) 4.0 2.2 1.0 assign (resid 13 and name HD21 )(resid 67 and name HA ) 4.0 2.2 1.0 assign (resid 13 and name HD22 )(resid 67 and name HA ) 4.0 2.2 1.0 assign (resid 13 and name HD21 )(resid 67 and name HB# ) 4.0 2.2 2.0 assign (resid 13 and name HD22 )(resid 67 and name HB# ) 4.0 2.2 2.0 !T14 assign (resid 14 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0 assign (resid 14 and name HN )(resid 14 and name HB ) 4.0 2.2 1.0 assign (resid 14 and name HN )(resid 71 and name HZ2 ) 4.0 2.2 1.0 !assign (resid 14 and name HA )(resid 14 and name HB ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 14 and name HG2# ) 4.0 2.2 1.6 assign (resid 14 and name HA )(resid 15 and name HN ) 3.0 1.2 0.5 assign (resid 14 and name HA )(resid 15 and name HB# ) 4.0 2.2 2.0 assign (resid 14 and name HA )(resid 64 and name HA ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 65 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 14 and name HB )(resid 14 and name HG2# ) 4.0 2.2 2.0 assign (resid 14 and name HB )(resid 64 and name HB2 ) 3.0 1.2 0.5 assign (resid 14 and name HB )(resid 64 and name HB1 ) 3.0 1.2 0.5 assign (resid 14 and name HG2# )(resid 15 and name HN ) 4.0 2.2 2.0 assign (resid 14 and name HG2# )(resid 62 and name HA ) 4.0 2.2 2.0 assign (resid 14 and name HG2# )(resid 62 and name HB# ) 4.0 2.2 3.0 assign (resid 14 and name HG2# )(resid 63 and name HN ) 4.0 2.2 2.0 assign (resid 14 and name HG2# )(resid 64 and name HA ) 4.0 2.2 2.0 assign (resid 14 and name HG2# )(resid 64 and name HB2 ) 4.0 2.2 2.0 assign (resid 14 and name HG2# )(resid 64 and name HB1 ) 4.0 2.2 2.0 !M15 assign (resid 15 and name HN )(resid 15 and name HA ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 15 and name HB2 ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 63 and name HB ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 71 and name HH2 ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 16 and name HN ) 2.5 0.7 0.4 !assign (resid 15 and name HB2 )(resid 15 and name HB1 ) 3.0 1.2 0.5 !assign (resid 15 and name HB1 )(resid 15 and name HB2 ) 3.0 1.2 0.5 !assign (resid 15 and name HB# )(resid 15 and name HG2 ) 4.0 2.2 2.0 !assign (resid 15 and name HB# )(resid 15 and name HG1 ) 4.0 2.2 2.0 assign (resid 15 and name HB2 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HB1 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HB# )(resid 63 and name HB ) 4.0 2.2 2.0 assign (resid 15 and name HB# )(resid 71 and name HZ2 ) 4.0 2.2 2.0 assign (resid 15 and name HB# )(resid 71 and name HH2 ) 4.0 2.2 2.0 assign (resid 15 and name HG2 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HG1 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HG# )(resid 63 and name HB ) 4.0 2.2 2.0 assign (resid 15 and name HG2 )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 15 and name HG1 )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 15 and name HE# )(resid 63 and name HB ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 71 and name HB# ) 4.0 2.2 3.0 assign (resid 15 and name HE# )(resid 71 and name HD1 ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 71 and name HE1 ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 71 and name HZ2 ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 71 and name HE3 ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 75 and name HG ) 4.0 2.2 2.0 assign (resid 15 and name HE# )(resid 75 and name HD1# ) 4.0 2.2 3.0 !K16 assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HB2 ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HG2 ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HG1 ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 17 and name HN ) 4.0 2.2 1.0 !assign (resid 16 and name HA )(resid 16 and name HB2 ) 4.0 2.2 1.0 !assign (resid 16 and name HA )(resid 16 and name HB1 ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 16 and name HG# ) 4.0 2.2 2.0 assign (resid 16 and name HA )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 61 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 62 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HA )(resid 63 and name HN ) 4.0 2.2 1.0 !assign (resid 16 and name HB2 )(resid 16 and name HB1 ) 2.5 0.7 0.4 !assign (resid 16 and name HB1 )(resid 16 and name HB2 ) 2.5 0.7 0.4 !assign (resid 16 and name HB2 )(resid 16 and name HG2 ) 4.0 2.2 1.0 !assign (resid 16 and name HB2 )(resid 16 and name HG1 ) 4.0 2.2 1.0 !assign (resid 16 and name HB1 )(resid 16 and name HG2 ) 4.0 2.2 1.0 !assign (resid 16 and name HB1 )(resid 16 and name HG1 ) 4.0 2.2 1.0 assign (resid 16 and name HB2 )(resid 16 and name HD# ) 4.0 2.2 2.0 assign (resid 16 and name HB1 )(resid 16 and name HD# ) 4.0 2.2 2.0 !assign (resid 16 and name HG2 )(resid 16 and name HD# ) 4.0 2.2 2.0 !assign (resid 16 and name HG1 )(resid 16 and name HD# ) 4.0 2.2 2.0 assign (resid 16 and name HG2 )(resid 16 and name HE2 ) 4.0 2.2 1.0 assign (resid 16 and name HG2 )(resid 16 and name HE1 ) 4.0 2.2 1.0 assign (resid 16 and name HG1 )(resid 16 and name HE2 ) 4.0 2.2 1.0 assign (resid 16 and name HG1 )(resid 16 and name HE1 ) 4.0 2.2 1.0 assign (resid 16 and name HG# )(resid 17 and name HN ) 4.0 2.2 2.0 assign (resid 16 and name HG2 )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 16 and name HG1 )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 16 and name HG2 )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 16 and name HG1 )(resid 60 and name HD# ) 4.0 2.2 3.0 !assign (resid 16 and name HD# )(resid 16 and name HE2 ) 4.0 2.2 2.0 !assign (resid 16 and name HD# )(resid 16 and name HE1 ) 4.0 2.2 2.0 assign (resid 16 and name HD# )(resid 60 and name HD# ) 4.0 2.2 4.0 !assign (resid 16 and name HE2 )(resid 16 and name HE1 ) 4.0 2.2 1.0 !assign (resid 16 and name HE1 )(resid 16 and name HE2 ) 4.0 2.2 1.0 assign (resid 16 and name HE2 )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 16 and name HE1 )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 16 and name HE2 )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 16 and name HE1 )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 16 and name HE# )(resid 60 and name HE# ) 4.0 2.2 4.0 !I17 assign (resid 17 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 17 and name HB ) 3.0 1.2 0.5 assign (resid 17 and name HN )(resid 17 and name HG12 ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 17 and name HG11 ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 17 and name HD1# ) 4.0 2.2 2.0 assign (resid 17 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 17 and name HN )(resid 61 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 61 and name HG1# ) 4.0 2.2 2.0 assign (resid 17 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0 assign (resid 17 and name HA )(resid 18 and name HN ) 3.0 1.2 0.5 assign (resid 17 and name HA )(resid 61 and name HN ) 4.0 2.2 1.0 !assign (resid 17 and name HB )(resid 17 and name HG12 ) 4.0 2.2 1.0 !assign (resid 17 and name HB )(resid 17 and name HG11 ) 4.0 2.2 1.0 !assign (resid 17 and name HB )(resid 17 and name HG2# ) 4.0 2.2 2.0 assign (resid 17 and name HB )(resid 17 and name HD1# ) 4.0 2.2 2.0 assign (resid 17 and name HB )(resid 61 and name HB ) 4.0 2.2 1.0 assign (resid 17 and name HB )(resid 61 and name HG1# ) 4.0 2.2 2.0 assign (resid 17 and name HB )(resid 63 and name HG2# ) 4.0 2.2 2.0 !assign (resid 17 and name HG12 )(resid 17 and name HG11 ) 4.0 2.2 1.0 !assign (resid 17 and name HG11 )(resid 17 and name HG12 ) 4.0 2.2 1.0 assign (resid 17 and name HG1# )(resid 17 and name HG2# ) 4.0 2.2 3.0 !assign (resid 17 and name HG12 )(resid 17 and name HD1# ) 4.0 2.2 2.0 !assign (resid 17 and name HG11 )(resid 17 and name HD1# ) 4.0 2.2 2.0 assign (resid 17 and name HG12 )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HG11 )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HG12 )(resid 61 and name HB ) 4.0 2.2 1.0 assign (resid 17 and name HG11 )(resid 61 and name HB ) 4.0 2.2 1.0 assign (resid 17 and name HG12 )(resid 63 and name HG2# ) 4.0 2.2 2.0 assign (resid 17 and name HG11 )(resid 63 and name HG2# ) 4.0 2.2 2.0 assign (resid 17 and name HG2# )(resid 18 and name HN ) 4.0 2.2 2.0 assign (resid 17 and name HG2# )(resid 19 and name HD2# ) 4.0 2.2 3.0 assign (resid 17 and name HD1# )(resid 61 and name HB ) 4.0 2.2 2.0 assign (resid 17 and name HD1# )(resid 61 and name HG2# ) 4.0 2.2 3.0 assign (resid 17 and name HD1# )(resid 63 and name HB ) 4.0 2.2 2.0 assign (resid 17 and name HD1# )(resid 63 and name HG2# ) 4.0 2.2 3.0 assign (resid 17 and name HD1# )(resid 82 and name HE# ) 4.0 2.2 4.0 !T18 assign (resid 18 and name HN )(resid 18 and name HA ) 3.0 1.2 0.5 assign (resid 18 and name HN )(resid 18 and name HB ) 3.0 1.2 0.5 assign (resid 18 and name HN )(resid 18 and name HG2# ) 4.0 2.2 2.0 assign (resid 18 and name HN )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 18 and name HA )(resid 19 and name HN ) 3.0 1.2 0.5 assign (resid 18 and name HA )(resid 61 and name HN ) 4.0 2.2 1.0 !assign (resid 18 and name HB )(resid 18 and name HG2# ) 4.0 2.2 2.0 assign (resid 18 and name HB )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HG2# )(resid 19 and name HN ) 4.0 2.2 2.0 assign (resid 18 and name HG2# )(resid 59 and name HB# ) 4.0 2.2 3.0 assign (resid 18 and name HG2# )(resid 60 and name HB# ) 4.0 2.2 3.0 !L19 assign (resid 19 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 19 and name HB2 ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 19 and name HB1 ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 19 and name HG ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 19 and name HD1# ) 4.0 2.2 2.0 assign (resid 19 and name HN )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 19 and name HN )(resid 59 and name HB# ) 4.0 2.2 2.0 assign (resid 19 and name HN )(resid 60 and name HA ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 60 and name HB# ) 4.0 2.2 2.0 assign (resid 19 and name HA )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 19 and name HA )(resid 20 and name HN ) 3.0 1.2 0.5 !assign (resid 19 and name HB2 )(resid 19 and name HB1 ) 3.0 1.2 0.5 !assign (resid 19 and name HB1 )(resid 19 and name HB2 ) 3.0 1.2 0.5 !assign (resid 19 and name HB# )(resid 19 and name HG ) 4.0 2.2 2.0 assign (resid 19 and name HB2 )(resid 19 and name HD1# ) 4.0 2.2 2.0 assign (resid 19 and name HB2 )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 19 and name HB1 )(resid 19 and name HD1# ) 4.0 2.2 2.0 assign (resid 19 and name HB1 )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 19 and name HB2 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HB1 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HB2 )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HB1 )(resid 21 and name HN ) 4.0 2.2 1.0 !assign (resid 19 and name HG )(resid 19 and name HD1# ) 4.0 2.2 2.0 !assign (resid 19 and name HG )(resid 19 and name HD2# ) 4.0 2.2 2.0 assign (resid 19 and name HG )(resid 60 and name HA ) 4.0 2.2 1.0 !assign (resid 19 and name HD1# )(resid 19 and name HD2# ) 4.0 2.2 3.0 assign (resid 19 and name HD1# )(resid 20 and name HN ) 4.0 2.2 2.0 assign (resid 19 and name HD2# )(resid 20 and name HN ) 4.0 2.2 2.0 assign (resid 19 and name HD1# )(resid 21 and name HN ) 4.0 2.2 2.0 assign (resid 19 and name HD2# )(resid 21 and name HN ) 4.0 2.2 2.0 assign (resid 19 and name HD2# )(resid 26 and name HE# ) 4.0 2.2 3.0 assign (resid 19 and name HD1# )(resid 60 and name HA ) 4.0 2.2 2.0 assign (resid 19 and name HD2# )(resid 61 and name HN ) 4.0 2.2 2.0 assign (resid 19 and name HD1# )(resid 61 and name HG1# ) 4.0 2.2 3.0 assign (resid 19 and name HD2# )(resid 61 and name HG1# ) 4.0 2.2 3.0 assign (resid 19 and name HD1# )(resid 61 and name HD1# ) 4.0 2.2 3.0 assign (resid 19 and name HD2# )(resid 61 and name HD1# ) 4.0 2.2 3.0 assign (resid 19 and name HD2# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 19 and name HD2# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 19 and name HD2# )(resid 82 and name HZ ) 4.0 2.2 2.0 !S20 assign (resid 20 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 20 and name HB2 ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 20 and name HB1 ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 21 and name HN ) 3.0 1.2 0.5 assign (resid 20 and name HN )(resid 21 and name HA ) 4.0 2.2 1.0 !assign (resid 20 and name HA )(resid 20 and name HB2 ) 4.0 2.2 1.0 !assign (resid 20 and name HA )(resid 20 and name HB1 ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HB# )(resid 21 and name HN ) 4.0 2.2 2.0 !E21 assign (resid 21 and name HN )(resid 21 and name HA ) 3.0 1.2 0.5 assign (resid 21 and name HN )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HG# ) 4.0 2.2 2.0 assign (resid 21 and name HN )(resid 26 and name HE# ) 4.0 2.2 2.0 assign (resid 21 and name HA )(resid 22 and name HN ) 2.5 0.7 0.4 !assign (resid 21 and name HB2 )(resid 21 and name HB1 ) 2.5 0.7 0.4 !assign (resid 21 and name HB1 )(resid 21 and name HB2 ) 2.5 0.7 0.4 !assign (resid 21 and name HB2 )(resid 21 and name HG# ) 4.0 2.2 2.0 !assign (resid 21 and name HB1 )(resid 21 and name HG# ) 4.0 2.2 2.0 assign (resid 21 and name HB2 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB# )(resid 59 and name HB# ) 4.0 2.2 3.0 !assign (resid 21 and name HG2 )(resid 21 and name HG1 ) 4.0 2.2 1.0 !assign (resid 21 and name HG1 )(resid 21 and name HG2 ) 4.0 2.2 1.0 assign (resid 21 and name HG# )(resid 22 and name HN ) 4.0 2.2 2.0 !S22 assign (resid 22 and name HN )(resid 22 and name HA ) 2.5 0.7 0.4 assign (resid 22 and name HN )(resid 22 and name HB# ) 3.0 1.2 1.5 assign (resid 22 and name HA )(resid 23 and name HN ) 2.5 0.7 0.4 assign (resid 22 and name HB# )(resid 23 and name HN ) 4.0 2.2 2.0 assign (resid 22 and name HB# )(resid 59 and name HB2 ) 4.0 2.2 2.0 assign (resid 22 and name HB# )(resid 59 and name HB1 ) 4.0 2.2 2.0 !R23 assign (resid 23 and name HN )(resid 23 and name HA ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 23 and name HB2 ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 23 and name HB1 ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 23 and name HG2 ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 23 and name HG1 ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 23 and name HD# ) 4.0 2.2 2.0 !assign (resid 23 and name HA )(resid 23 and name HB2 ) 4.0 2.2 1.0 !assign (resid 23 and name HA )(resid 23 and name HB1 ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 23 and name HG# ) 4.0 2.2 2.0 assign (resid 23 and name HA )(resid 24 and name HN ) 3.0 1.2 0.5 !assign (resid 23 and name HB2 )(resid 23 and name HB1 ) 3.0 1.2 0.5 !assign (resid 23 and name HB1 )(resid 23 and name HB2 ) 3.0 1.2 0.5 !assign (resid 23 and name HB# )(resid 23 and name HG2 ) 4.0 2.2 2.0 !assign (resid 23 and name HB# )(resid 23 and name HG1 ) 4.0 2.2 2.0 assign (resid 23 and name HB2 )(resid 23 and name HD# ) 4.0 2.2 2.0 assign (resid 23 and name HB1 )(resid 23 and name HD# ) 4.0 2.2 2.0 assign (resid 23 and name HB2 )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HB1 )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HB# )(resid 25 and name HN ) 4.0 2.2 2.0 !assign (resid 23 and name HG2 )(resid 23 and name HG1 ) 4.0 2.2 1.0 !assign (resid 23 and name HG1 )(resid 23 and name HG2 ) 4.0 2.2 1.0 !assign (resid 23 and name HG2 )(resid 23 and name HD# ) 4.0 2.2 2.0 !assign (resid 23 and name HG1 )(resid 23 and name HD# ) 4.0 2.2 2.0 assign (resid 23 and name HG# )(resid 24 and name HN ) 4.0 2.2 2.0 assign (resid 23 and name HG# )(resid 24 and name HB# ) 4.0 2.2 3.0 !E24 assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5 assign (resid 24 and name HN )(resid 24 and name HB# ) 3.0 1.2 1.5 assign (resid 24 and name HN )(resid 24 and name HG# ) 4.0 2.2 2.0 !assign (resid 24 and name HA )(resid 24 and name HB# ) 3.0 1.2 1.5 assign (resid 24 and name HA )(resid 24 and name HG# ) 4.0 2.2 2.0 assign (resid 24 and name HA )(resid 25 and name HN ) 3.0 1.2 0.5 !assign (resid 24 and name HB# )(resid 24 and name HG# ) 4.0 2.2 3.0 assign (resid 24 and name HB# )(resid 25 and name HN ) 4.0 2.2 2.0 assign (resid 24 and name HG# )(resid 25 and name HN ) 4.0 2.2 2.0 assign (resid 24 and name HG# )(resid 25 and name HA# ) 4.0 2.2 2.6 !G25 assign (resid 25 and name HN )(resid 25 and name HA# ) 4.0 2.2 1.6 assign (resid 25 and name HN )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA# )(resid 26 and name HN ) 4.0 2.2 1.6 assign (resid 25 and name HA# )(resid 27 and name HN ) 4.0 2.2 2.0 !M26 assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5 assign (resid 26 and name HN )(resid 26 and name HB2 ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 26 and name HG# ) 4.0 2.2 2.0 assign (resid 26 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 59 and name HB# ) 4.0 2.2 2.0 !assign (resid 26 and name HB2 )(resid 26 and name HG# ) 4.0 2.2 2.0 !assign (resid 26 and name HB1 )(resid 26 and name HG# ) 4.0 2.2 2.0 assign (resid 26 and name HB# )(resid 27 and name HN ) 4.0 2.2 2.0 assign (resid 26 and name HG# )(resid 59 and name HB# ) 4.0 2.2 3.0 !T27 assign (resid 27 and name HN )(resid 27 and name HA ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 27 and name HB ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 27 and name HG2# ) 4.0 2.2 2.0 assign (resid 27 and name HA )(resid 27 and name HG2# ) 4.0 2.2 1.6 assign (resid 27 and name HA )(resid 28 and name HN ) 3.0 1.2 0.5 !assign (resid 27 and name HB )(resid 27 and name HG2# ) 4.0 2.2 2.0 assign (resid 27 and name HB )(resid 28 and name HN ) 3.0 1.2 0.5 assign (resid 27 and name HG2# )(resid 28 and name HN ) 4.0 2.2 2.0 !S28 assign (resid 28 and name HN )(resid 28 and name HA ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 28 and name HB2 ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 28 and name HB1 ) 4.0 2.2 1.0 assign (resid 28 and name HA )(resid 29 and name HN ) 2.5 0.7 0.4 assign (resid 28 and name HA )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HB2 )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HB1 )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HB2 )(resid 55 and name HE# ) 4.0 2.2 3.0 assign (resid 28 and name HB1 )(resid 55 and name HE# ) 4.0 2.2 3.0 assign (resid 28 and name HB2 )(resid 57 and name HB ) 4.0 2.2 1.0 assign (resid 28 and name HB1 )(resid 57 and name HB ) 4.0 2.2 1.0 assign (resid 28 and name HB2 )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 28 and name HB2 )(resid 57 and name HG2# ) 4.0 2.2 2.0 assign (resid 28 and name HB1 )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 28 and name HB1 )(resid 57 and name HG2# ) 4.0 2.2 2.0 !D29 assign (resid 29 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5 assign (resid 29 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 29 and name HB1 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 56 and name HB2 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 56 and name HB1 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 57 and name HB ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 57 and name HG2# ) 4.0 2.2 2.0 assign (resid 29 and name HA )(resid 30 and name HN ) 2.5 0.7 0.4 assign (resid 29 and name HA )(resid 56 and name HN ) 4.0 2.2 1.0 !assign (resid 29 and name HB2 )(resid 29 and name HB1 ) 2.5 0.7 0.4 !assign (resid 29 and name HB1 )(resid 29 and name HB2 ) 2.5 0.7 0.4 assign (resid 29 and name HB2 )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB1 )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB# )(resid 31 and name HD# ) 4.0 2.2 4.0 assign (resid 29 and name HB2 )(resid 31 and name HE# ) 4.0 2.2 3.0 assign (resid 29 and name HB1 )(resid 31 and name HE# ) 4.0 2.2 3.0 assign (resid 29 and name HB2 )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB1 )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HB# )(resid 56 and name HB# ) 4.0 2.2 3.0 !T30 assign (resid 30 and name HN )(resid 30 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HN )(resid 30 and name HB ) 3.0 1.2 0.5 assign (resid 30 and name HN )(resid 30 and name HG2# ) 4.0 2.2 2.0 assign (resid 30 and name HN )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 30 and name HG2# ) 4.0 2.2 1.6 assign (resid 30 and name HA )(resid 31 and name HN ) 2.5 0.7 0.4 assign (resid 30 and name HA )(resid 55 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 56 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HB )(resid 30 and name HG2# ) 4.0 2.2 2.0 assign (resid 30 and name HG2# )(resid 31 and name HN ) 4.0 2.2 2.0 assign (resid 30 and name HG2# )(resid 55 and name HA ) 4.0 2.2 2.0 assign (resid 30 and name HG2# )(resid 55 and name HB# ) 4.0 2.2 3.0 assign (resid 30 and name HG2# )(resid 55 and name HD# ) 4.0 2.2 4.0 assign (resid 30 and name HG2# )(resid 56 and name HN ) 4.0 2.2 2.0 !Y31 assign (resid 31 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HB2 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HB1 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 31 and name HD# ) 4.0 2.2 3.0 assign (resid 31 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 31 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0 !assign (resid 31 and name HA )(resid 31 and name HB2 ) 4.0 2.2 1.0 !assign (resid 31 and name HA )(resid 31 and name HB1 ) 4.0 2.2 1.0 assign (resid 31 and name HA )(resid 31 and name HD# ) 4.0 2.2 2.0 assign (resid 31 and name HA )(resid 32 and name HN ) 3.0 1.2 0.5 assign (resid 31 and name HA )(resid 32 and name HG2# ) 4.0 2.2 2.0 assign (resid 31 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB2 )(resid 31 and name HD# ) 4.0 2.2 3.0 assign (resid 31 and name HB1 )(resid 31 and name HD# ) 4.0 2.2 3.0 assign (resid 31 and name HB# )(resid 31 and name HE# ) 4.0 2.2 4.0 assign (resid 31 and name HB2 )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB1 )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB# )(resid 34 and name HG1# ) 4.0 2.2 3.0 assign (resid 31 and name HB# )(resid 34 and name HG2# ) 4.0 2.2 3.0 assign (resid 31 and name HB# )(resid 38 and name HE21 ) 4.0 2.2 2.0 assign (resid 31 and name HB# )(resid 42 and name HG2# ) 4.0 2.2 3.0 assign (resid 31 and name HB2 )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 31 and name HB1 )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 31 and name HB2 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB1 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB2 )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 31 and name HB1 )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 31 and name HB# )(resid 54 and name HG2# ) 4.0 2.2 3.0 assign (resid 31 and name HB# )(resid 54 and name HD1# ) 4.0 2.2 3.0 !assign (resid 31 and name HD# )(resid 31 and name HE# ) 4.0 2.2 5.0 assign (resid 31 and name HD# )(resid 35 and name HN ) 4.0 2.2 3.0 assign (resid 31 and name HD# )(resid 38 and name HB# ) 4.0 2.2 4.0 assign (resid 31 and name HD# )(resid 38 and name HG# ) 4.0 2.2 4.0 assign (resid 31 and name HD# )(resid 42 and name HG2# ) 4.0 2.2 4.0 assign (resid 31 and name HD# )(resid 42 and name HD1# ) 4.0 2.2 4.0 assign (resid 31 and name HD# )(resid 54 and name HB ) 4.0 2.2 3.0 assign (resid 31 and name HD# )(resid 54 and name HG2# ) 4.0 2.2 4.0 assign (resid 31 and name HD# )(resid 54 and name HD1# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 36 and name HB# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 38 and name HG# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 42 and name HG1# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 42 and name HG2# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 42 and name HD1# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 54 and name HG2# ) 4.0 2.2 4.0 assign (resid 31 and name HE# )(resid 56 and name HN ) 4.0 2.2 3.0 assign (resid 31 and name HE# )(resid 56 and name HB2 ) 4.0 2.2 3.0 assign (resid 31 and name HE# )(resid 56 and name HB1 ) 4.0 2.2 3.0 assign (resid 31 and name HE# )(resid 61 and name HG2# ) 4.0 2.2 4.0 !T32 assign (resid 32 and name HN )(resid 32 and name HA ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 32 and name HB ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 32 and name HG2# ) 4.0 2.2 2.0 assign (resid 32 and name HN )(resid 33 and name HN ) 2.5 0.7 0.4 assign (resid 32 and name HN )(resid 33 and name HA ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 33 and name HG# ) 4.0 2.2 2.0 assign (resid 32 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 32 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HA )(resid 53 and name HB# ) 4.0 2.2 2.0 !assign (resid 32 and name HB )(resid 32 and name HG2# ) 4.0 2.2 2.0 assign (resid 32 and name HB )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HG2# )(resid 33 and name HN ) 4.0 2.2 2.0 assign (resid 32 and name HG2# )(resid 53 and name HB2 ) 4.0 2.2 2.0 assign (resid 32 and name HG2# )(resid 53 and name HB1 ) 4.0 2.2 2.0 assign (resid 32 and name HG2# )(resid 54 and name HN ) 4.0 2.2 2.0 !K33 assign (resid 33 and name HN )(resid 33 and name HA ) 3.0 1.2 0.5 assign (resid 33 and name HN )(resid 33 and name HB# ) 4.0 2.2 2.0 assign (resid 33 and name HN )(resid 33 and name HG# ) 4.0 2.2 2.0 assign (resid 33 and name HN )(resid 33 and name HD# ) 4.0 2.2 2.0 assign (resid 33 and name HN )(resid 34 and name HG2# ) 4.0 2.2 2.0 assign (resid 33 and name HN )(resid 46 and name HB# ) 4.0 2.2 2.0 assign (resid 33 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 33 and name HA )(resid 34 and name HN ) 2.5 0.7 0.4 !assign (resid 33 and name HB2 )(resid 33 and name HG# ) 4.0 2.2 2.0 !assign (resid 33 and name HB1 )(resid 33 and name HG# ) 4.0 2.2 2.0 assign (resid 33 and name HB# )(resid 33 and name HD# ) 4.0 2.2 3.0 assign (resid 33 and name HB# )(resid 33 and name HE# ) 4.0 2.2 3.0 !assign (resid 33 and name HG# )(resid 33 and name HD# ) 4.0 2.2 3.0 assign (resid 33 and name HG# )(resid 33 and name HE# ) 4.0 2.2 3.0 !assign (resid 33 and name HD# )(resid 33 and name HE# ) 4.0 2.2 3.0 !V34 assign (resid 34 and name HN )(resid 34 and name HA ) 3.0 1.2 0.5 assign (resid 34 and name HN )(resid 34 and name HB ) 3.0 1.2 0.5 assign (resid 34 and name HN )(resid 34 and name HG1# ) 4.0 2.2 2.0 assign (resid 34 and name HN )(resid 34 and name HG2# ) 4.0 2.2 2.0 assign (resid 34 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 !assign (resid 34 and name HA )(resid 34 and name HB ) 4.0 2.2 1.0 assign (resid 34 and name HA )(resid 34 and name HG1# ) 4.0 2.2 2.0 assign (resid 34 and name HA )(resid 34 and name HG2# ) 4.0 2.2 2.0 assign (resid 34 and name HA )(resid 35 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 34 and name HA )(resid 38 and name HE22 ) 4.0 2.2 1.0 assign (resid 34 and name HA )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 34 and name HA )(resid 46 and name HD1# ) 4.0 2.2 2.0 !assign (resid 34 and name HB )(resid 34 and name HG1# ) 4.0 2.2 2.0 !assign (resid 34 and name HB )(resid 34 and name HG2# ) 4.0 2.2 2.0 assign (resid 34 and name HB )(resid 35 and name HN ) 4.0 2.2 1.0 !assign (resid 34 and name HG1# )(resid 34 and name HG2# ) 4.0 2.2 3.0 assign (resid 34 and name HG1# )(resid 35 and name HN ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 35 and name HN ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 43 and name HA ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 43 and name HA ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 43 and name HB2 ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 43 and name HB1 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 43 and name HB2 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 43 and name HB1 ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 43 and name HD21 ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 43 and name HD22 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 46 and name HN ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 46 and name HB2 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 46 and name HB1 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 46 and name HD1# ) 4.0 2.2 3.0 assign (resid 34 and name HG2# )(resid 47 and name HN ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 47 and name HA ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 47 and name HD2 ) 4.0 2.2 2.0 assign (resid 34 and name HG2# )(resid 47 and name HD1 ) 4.0 2.2 2.0 assign (resid 34 and name HG1# )(resid 47 and name HE# ) 4.0 2.2 3.0 assign (resid 34 and name HG2# )(resid 47 and name HE# ) 4.0 2.2 3.0 !D35 assign (resid 35 and name HN )(resid 35 and name HA ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 35 and name HB2 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 35 and name HB1 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 38 and name HB# ) 4.0 2.2 2.0 assign (resid 35 and name HN )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 38 and name HE22 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 !assign (resid 35 and name HB2 )(resid 35 and name HB1 ) 2.5 0.7 0.4 !assign (resid 35 and name HB1 )(resid 35 and name HB2 ) 2.5 0.7 0.4 assign (resid 35 and name HB# )(resid 36 and name HN ) 4.0 2.2 2.0 assign (resid 35 and name HB# )(resid 37 and name HN ) 4.0 2.2 2.0 assign (resid 35 and name HB# )(resid 38 and name HE22 ) 4.0 2.2 2.0 !D36 assign (resid 36 and name HN )(resid 36 and name HA ) 4.0 2.2 1.0 !assign (resid 36 and name HA )(resid 36 and name HB# ) 3.0 1.2 1.5 assign (resid 36 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HB# )(resid 37 and name HN ) 4.0 2.2 2.0 !S37 assign (resid 37 and name HN )(resid 37 and name HA ) 4.0 2.2 1.0 assign (resid 37 and name HN )(resid 37 and name HB2 ) 4.0 2.2 1.0 assign (resid 37 and name HN )(resid 37 and name HB1 ) 4.0 2.2 1.0 assign (resid 37 and name HN )(resid 38 and name HN ) 3.0 1.2 0.5 assign (resid 37 and name HN )(resid 38 and name HB# ) 4.0 2.2 2.0 assign (resid 37 and name HN )(resid 38 and name HG# ) 4.0 2.2 2.0 !assign (resid 37 and name HA )(resid 37 and name HB2 ) 4.0 2.2 1.0 !assign (resid 37 and name HA )(resid 37 and name HB1 ) 4.0 2.2 1.0 assign (resid 37 and name HA )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HB# )(resid 38 and name HN ) 4.0 2.2 2.0 !Q38 assign (resid 38 and name HN )(resid 38 and name HA ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 38 and name HB2 ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 38 and name HB1 ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 38 and name HG# ) 4.0 2.2 2.0 assign (resid 38 and name HN )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 39 and name HD2 ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 39 and name HD1 ) 4.0 2.2 1.0 assign (resid 38 and name HA )(resid 39 and name HD# ) 4.0 2.2 2.0 !assign (resid 38 and name HB2 )(resid 38 and name HB1 ) 4.0 2.2 1.0 !assign (resid 38 and name HB1 )(resid 38 and name HB2 ) 4.0 2.2 1.0 !assign (resid 38 and name HB2 )(resid 38 and name HG# ) 4.0 2.2 2.0 !assign (resid 38 and name HB1 )(resid 38 and name HG# ) 4.0 2.2 2.0 assign (resid 38 and name HB2 )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 38 and name HE22 ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 38 and name HE22 ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 39 and name HD2 ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 39 and name HD1 ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 39 and name HD2 ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 39 and name HD1 ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 42 and name HB ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 42 and name HB ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 38 and name HB1 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 38 and name HB2 )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 38 and name HB2 )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 38 and name HB1 )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 38 and name HG# )(resid 38 and name HE21 ) 4.0 2.2 2.0 assign (resid 38 and name HG# )(resid 42 and name HG2# ) 4.0 2.2 3.0 assign (resid 38 and name HG# )(resid 43 and name HD22 ) 4.0 2.2 2.0 !assign (resid 38 and name HE21 )(resid 38 and name HE22 ) 4.0 2.2 1.0 !assign (resid 38 and name HE22 )(resid 38 and name HE21 ) 4.0 2.2 1.0 assign (resid 38 and name HE21 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 38 and name HE22 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 38 and name HE21 )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 38 and name HE21 )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 38 and name HE22 )(resid 46 and name HD1# ) 4.0 2.2 2.0 !P39 !assign (resid 39 and name HA )(resid 39 and name HB2 ) 4.0 2.2 1.0 !assign (resid 39 and name HA )(resid 39 and name HB1 ) 4.0 2.2 1.0 assign (resid 39 and name HA )(resid 40 and name HN ) 2.5 0.7 0.4 assign (resid 39 and name HA )(resid 40 and name HB# ) 4.0 2.2 2.0 assign (resid 39 and name HA )(resid 41 and name HN ) 4.0 2.2 1.0 !assign (resid 39 and name HB2 )(resid 39 and name HB1 ) 4.0 2.2 1.0 !assign (resid 39 and name HB1 )(resid 39 and name HB2 ) 4.0 2.2 1.0 !assign (resid 39 and name HB2 )(resid 39 and name HG2 ) 4.0 2.2 1.0 !assign (resid 39 and name HB2 )(resid 39 and name HG1 ) 4.0 2.2 1.0 !assign (resid 39 and name HB1 )(resid 39 and name HG2 ) 4.0 2.2 1.0 !assign (resid 39 and name HB1 )(resid 39 and name HG1 ) 4.0 2.2 1.0 !assign (resid 39 and name HB2 )(resid 39 and name HD# ) 4.0 2.2 2.0 !assign (resid 39 and name HB1 )(resid 39 and name HD# ) 4.0 2.2 2.0 assign (resid 39 and name HB2 )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB1 )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB2 )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB1 )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB2 )(resid 41 and name HB# ) 4.0 2.2 2.0 assign (resid 39 and name HB1 )(resid 41 and name HB# ) 4.0 2.2 2.0 assign (resid 39 and name HB2 )(resid 41 and name HD# ) 4.0 2.2 3.0 assign (resid 39 and name HB1 )(resid 41 and name HD# ) 4.0 2.2 3.0 assign (resid 39 and name HB2 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB1 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HB# )(resid 42 and name HB ) 4.0 2.2 2.0 assign (resid 39 and name HB2 )(resid 42 and name HG1# ) 4.0 2.2 2.0 assign (resid 39 and name HB1 )(resid 42 and name HG1# ) 4.0 2.2 2.0 assign (resid 39 and name HB# )(resid 42 and name HG2# ) 4.0 2.2 3.0 assign (resid 39 and name HB# )(resid 42 and name HD1# ) 4.0 2.2 3.0 assign (resid 39 and name HB2 )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 39 and name HB1 )(resid 81 and name HG1# ) 4.0 2.2 2.0 !assign (resid 39 and name HG2 )(resid 39 and name HD2 ) 4.0 2.2 1.0 !assign (resid 39 and name HG2 )(resid 39 and name HD1 ) 4.0 2.2 1.0 !assign (resid 39 and name HG1 )(resid 39 and name HD2 ) 4.0 2.2 1.0 !assign (resid 39 and name HG1 )(resid 39 and name HD1 ) 4.0 2.2 1.0 assign (resid 39 and name HG# )(resid 42 and name HG12 ) 4.0 2.2 2.0 assign (resid 39 and name HG# )(resid 42 and name HG11 ) 4.0 2.2 2.0 assign (resid 39 and name HG# )(resid 42 and name HD1# ) 4.0 2.2 3.0 !assign (resid 39 and name HD2 )(resid 39 and name HD1 ) 4.0 2.2 1.0 !assign (resid 39 and name HD1 )(resid 39 and name HD2 ) 4.0 2.2 1.0 assign (resid 39 and name HD2 )(resid 42 and name HB ) 4.0 2.2 1.0 assign (resid 39 and name HD1 )(resid 42 and name HB ) 4.0 2.2 1.0 assign (resid 39 and name HD2 )(resid 42 and name HG12 ) 4.0 2.2 1.0 assign (resid 39 and name HD2 )(resid 42 and name HG11 ) 4.0 2.2 1.0 assign (resid 39 and name HD1 )(resid 42 and name HG12 ) 4.0 2.2 1.0 assign (resid 39 and name HD1 )(resid 42 and name HG11 ) 4.0 2.2 1.0 assign (resid 39 and name HD2 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 39 and name HD1 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 39 and name HD# )(resid 42 and name HD1# ) 4.0 2.2 3.0 assign (resid 39 and name HD# )(resid 81 and name HG1# ) 4.0 2.2 3.0 !A40 assign (resid 40 and name HN )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 40 and name HN )(resid 40 and name HB# ) 4.0 2.2 1.6 assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0 !assign (resid 40 and name HA )(resid 40 and name HB# ) 4.0 2.2 1.2 assign (resid 40 and name HA )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 43 and name HB2 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HB# )(resid 41 and name HN ) 4.0 2.2 2.0 assign (resid 40 and name HB# )(resid 41 and name HB# ) 4.0 2.2 3.0 assign (resid 40 and name HB# )(resid 41 and name HD# ) 4.0 2.2 4.0 assign (resid 40 and name HB# )(resid 44 and name HN ) 4.0 2.2 2.0 !F41 assign (resid 41 and name HN )(resid 41 and name HA ) 3.0 1.2 0.5 assign (resid 41 and name HN )(resid 41 and name HB2 ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 41 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 41 and name HD# ) 4.0 2.2 3.0 assign (resid 41 and name HN )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 81 and name HG1# ) 4.0 2.2 2.0 !assign (resid 41 and name HA )(resid 41 and name HB# ) 4.0 2.2 2.0 assign (resid 41 and name HA )(resid 41 and name HD# ) 4.0 2.2 2.0 assign (resid 41 and name HA )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 41 and name HA )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 41 and name HB2 )(resid 41 and name HD# ) 4.0 2.2 3.0 assign (resid 41 and name HB1 )(resid 41 and name HD# ) 4.0 2.2 3.0 assign (resid 41 and name HB# )(resid 42 and name HN ) 4.0 2.2 2.0 assign (resid 41 and name HB# )(resid 81 and name HG1# ) 4.0 2.2 3.0 assign (resid 41 and name HD# )(resid 42 and name HG1# ) 4.0 2.2 4.0 assign (resid 41 and name HD# )(resid 81 and name HG1# ) 4.0 2.2 4.0 assign (resid 41 and name HD# )(resid 84 and name HD1# ) 4.0 2.2 4.0 !assign (resid 41 and name HE# )(resid 41 and name HZ ) 4.0 2.2 3.0 assign (resid 41 and name HE# )(resid 84 and name HD1# ) 4.0 2.2 4.0 assign (resid 41 and name HE# )(resid 84 and name HD2# ) 4.0 2.2 4.0 assign (resid 41 and name HZ )(resid 84 and name HD1# ) 4.0 2.2 2.0 !I42 assign (resid 42 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 42 and name HB ) 3.0 1.2 0.5 assign (resid 42 and name HN )(resid 42 and name HG12 ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 42 and name HG11 ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 42 and name HN )(resid 42 and name HD1# ) 4.0 2.2 2.0 assign (resid 42 and name HN )(resid 43 and name HN ) 3.0 1.2 0.5 !assign (resid 42 and name HA )(resid 42 and name HB ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 42 and name HG12 ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 42 and name HG11 ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 42 and name HG2# ) 4.0 2.2 1.6 assign (resid 42 and name HA )(resid 42 and name HD1# ) 4.0 2.2 2.0 assign (resid 42 and name HA )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 45 and name HN ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 45 and name HB ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 45 and name HD1# ) 4.0 2.2 2.0 assign (resid 42 and name HA )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 54 and name HD1# ) 4.0 2.2 2.0 !assign (resid 42 and name HB )(resid 42 and name HG12 ) 4.0 2.2 1.0 !assign (resid 42 and name HB )(resid 42 and name HG11 ) 4.0 2.2 1.0 !assign (resid 42 and name HB )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 42 and name HB )(resid 42 and name HD1# ) 4.0 2.2 2.0 assign (resid 42 and name HB )(resid 43 and name HN ) 4.0 2.2 1.0 !assign (resid 42 and name HG12 )(resid 42 and name HG11 ) 4.0 2.2 1.0 !assign (resid 42 and name HG11 )(resid 42 and name HG12 ) 4.0 2.2 1.0 assign (resid 42 and name HG12 )(resid 42 and name HG2# ) 4.0 2.2 2.0 assign (resid 42 and name HG11 )(resid 42 and name HG2# ) 4.0 2.2 2.0 !assign (resid 42 and name HG12 )(resid 42 and name HD1# ) 4.0 2.2 2.0 !assign (resid 42 and name HG11 )(resid 42 and name HD1# ) 4.0 2.2 2.0 assign (resid 42 and name HG1# )(resid 43 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HG1# )(resid 45 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HG1# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HG1# )(resid 82 and name HZ ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 42 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HG2# )(resid 43 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 43 and name HA ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 43 and name HD22 ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 44 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 45 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 45 and name HB ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 46 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 46 and name HG ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 46 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HG2# )(resid 54 and name HB ) 4.0 2.2 2.0 assign (resid 42 and name HG2# )(resid 54 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HG2# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HG2# )(resid 61 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 43 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HD1# )(resid 45 and name HB ) 4.0 2.2 2.0 assign (resid 42 and name HD1# )(resid 45 and name HG1# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 46 and name HN ) 4.0 2.2 2.0 assign (resid 42 and name HD1# )(resid 54 and name HG1# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 54 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 61 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 61 and name HD1# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 63 and name HG2# ) 4.0 2.2 3.0 assign (resid 42 and name HD1# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 42 and name HD1# )(resid 82 and name HZ ) 4.0 2.2 2.0 !N43 assign (resid 43 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 43 and name HN )(resid 43 and name HB2 ) 3.0 1.2 0.5 assign (resid 43 and name HN )(resid 43 and name HB1 ) 3.0 1.2 0.5 assign (resid 43 and name HN )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 43 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5 !assign (resid 43 and name HA )(resid 43 and name HB2 ) 4.0 2.2 1.0 !assign (resid 43 and name HA )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 43 and name HA )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HB2 )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 43 and name HB2 )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 43 and name HB1 )(resid 43 and name HD21 ) 4.0 2.2 1.0 assign (resid 43 and name HB1 )(resid 43 and name HD22 ) 4.0 2.2 1.0 assign (resid 43 and name HB# )(resid 44 and name HA ) 4.0 2.2 2.0 assign (resid 43 and name HB# )(resid 47 and name HD2 ) 4.0 2.2 2.0 assign (resid 43 and name HB# )(resid 47 and name HD1 ) 4.0 2.2 2.0 !assign (resid 43 and name HD21 )(resid 43 and name HD22 ) 4.0 2.2 1.0 !assign (resid 43 and name HD22 )(resid 43 and name HD21 ) 4.0 2.2 1.0 !D44 assign (resid 44 and name HN )(resid 44 and name HA ) 4.0 2.2 1.0 assign (resid 44 and name HN )(resid 45 and name HN ) 3.0 1.2 0.5 assign (resid 44 and name HN )(resid 45 and name HG1# ) 4.0 2.2 2.0 assign (resid 44 and name HN )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 44 and name HN )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 44 and name HA )(resid 45 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HA )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HA )(resid 47 and name HB# ) 3.0 1.2 1.5 assign (resid 44 and name HA )(resid 47 and name HG# ) 4.0 2.2 2.0 assign (resid 44 and name HA )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 44 and name HB# )(resid 81 and name HG1# ) 4.0 2.2 3.0 !I45 assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HB ) 3.0 1.2 0.5 assign (resid 45 and name HN )(resid 45 and name HG12 ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HG11 ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HG2# ) 4.0 2.2 2.0 assign (resid 45 and name HN )(resid 45 and name HD1# ) 4.0 2.2 2.0 assign (resid 45 and name HN )(resid 46 and name HN ) 3.0 1.2 0.5 assign (resid 45 and name HN )(resid 46 and name HG ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 54 and name HD1# ) 4.0 2.2 2.0 assign (resid 45 and name HN )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 45 and name HN )(resid 81 and name HG2# ) 4.0 2.2 2.0 !assign (resid 45 and name HA )(resid 45 and name HB ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HG12 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HG11 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HG2# ) 4.0 2.2 1.6 assign (resid 45 and name HA )(resid 45 and name HD1# ) 4.0 2.2 2.0 assign (resid 45 and name HA )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 48 and name HB ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 48 and name HG2# ) 4.0 2.2 2.0 !assign (resid 45 and name HB )(resid 45 and name HG1# ) 4.0 2.2 2.0 !assign (resid 45 and name HB )(resid 45 and name HG2# ) 4.0 2.2 2.0 assign (resid 45 and name HB )(resid 45 and name HD1# ) 4.0 2.2 2.0 assign (resid 45 and name HB )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HB )(resid 54 and name HD1# ) 4.0 2.2 2.0 !assign (resid 45 and name HG12 )(resid 45 and name HG11 ) 4.0 2.2 1.0 !assign (resid 45 and name HG11 )(resid 45 and name HG12 ) 4.0 2.2 1.0 assign (resid 45 and name HG12 )(resid 45 and name HG2# ) 4.0 2.2 2.0 assign (resid 45 and name HG11 )(resid 45 and name HG2# ) 4.0 2.2 2.0 !assign (resid 45 and name HG1# )(resid 45 and name HD1# ) 4.0 2.2 3.0 assign (resid 45 and name HG1# )(resid 48 and name HG2# ) 4.0 2.2 3.0 assign (resid 45 and name HG1# )(resid 77 and name HB# ) 4.0 2.2 3.0 assign (resid 45 and name HG12 )(resid 78 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HG11 )(resid 78 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HG1# )(resid 78 and name HG1# ) 4.0 2.2 3.0 assign (resid 45 and name HG12 )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 45 and name HG12 )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 45 and name HG11 )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 45 and name HD1# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 46 and name HN ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 46 and name HA ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 46 and name HG ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 46 and name HD2# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 48 and name HB ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 51 and name HB ) 4.0 2.2 2.0 assign (resid 45 and name HG2# )(resid 51 and name HG2# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 54 and name HG1# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 63 and name HG1# ) 4.0 2.2 3.0 assign (resid 45 and name HG2# )(resid 78 and name HG2# ) 4.0 2.2 3.0 assign (resid 45 and name HD1# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 45 and name HD1# )(resid 78 and name HA ) 4.0 2.2 2.0 assign (resid 45 and name HD1# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 45 and name HD1# )(resid 82 and name HZ ) 4.0 2.2 2.0 !L46 assign (resid 46 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HB2 ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HG ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 46 and name HN )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 46 and name HN )(resid 47 and name HN ) 3.0 1.2 0.5 assign (resid 46 and name HN )(resid 54 and name HD1# ) 4.0 2.2 2.0 !assign (resid 46 and name HA )(resid 46 and name HB2 ) 4.0 2.2 1.0 !assign (resid 46 and name HA )(resid 46 and name HB1 ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 46 and name HG ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 46 and name HA )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 46 and name HA )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 51 and name HB ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 51 and name HG1# ) 4.0 2.2 2.0 assign (resid 46 and name HA )(resid 54 and name HD1# ) 4.0 2.2 2.0 !assign (resid 46 and name HB2 )(resid 46 and name HB1 ) 2.5 0.7 0.4 !assign (resid 46 and name HB1 )(resid 46 and name HB2 ) 2.5 0.7 0.4 !assign (resid 46 and name HB2 )(resid 46 and name HG ) 4.0 2.2 1.0 !assign (resid 46 and name HB1 )(resid 46 and name HG ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 46 and name HB2 )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 46 and name HB1 )(resid 46 and name HD1# ) 4.0 2.2 2.0 assign (resid 46 and name HB1 )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 46 and name HB# )(resid 47 and name HN ) 4.0 2.2 2.0 assign (resid 46 and name HB# )(resid 47 and name HG# ) 4.0 2.2 3.0 assign (resid 46 and name HB# )(resid 47 and name HD# ) 4.0 2.2 3.0 assign (resid 46 and name HB# )(resid 51 and name HG1# ) 4.0 2.2 3.0 !assign (resid 46 and name HG )(resid 46 and name HD1# ) 4.0 2.2 2.0 !assign (resid 46 and name HG )(resid 46 and name HD2# ) 4.0 2.2 2.0 assign (resid 46 and name HG )(resid 54 and name HD1# ) 4.0 2.2 2.0 assign (resid 46 and name HD2# )(resid 51 and name HG1# ) 4.0 2.2 3.0 assign (resid 46 and name HD2# )(resid 53 and name HN ) 4.0 2.2 2.0 assign (resid 46 and name HD2# )(resid 54 and name HN ) 4.0 2.2 2.0 assign (resid 46 and name HD2# )(resid 54 and name HB ) 4.0 2.2 2.0 assign (resid 46 and name HD2# )(resid 54 and name HG12 ) 4.0 2.2 2.0 assign (resid 46 and name HD2# )(resid 54 and name HG11 ) 4.0 2.2 2.0 assign (resid 46 and name HD1# )(resid 54 and name HD1# ) 4.0 2.2 3.0 assign (resid 46 and name HD2# )(resid 54 and name HD1# ) 4.0 2.2 3.0 !K47 assign (resid 47 and name HN )(resid 47 and name HA ) 3.0 1.2 0.5 assign (resid 47 and name HN )(resid 47 and name HB2 ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HB1 ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HG2 ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HG1 ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 47 and name HN )(resid 48 and name HN ) 3.0 1.2 0.5 assign (resid 47 and name HN )(resid 48 and name HG2# ) 4.0 2.2 2.0 !assign (resid 47 and name HA )(resid 47 and name HB2 ) 4.0 2.2 1.0 !assign (resid 47 and name HA )(resid 47 and name HB1 ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 47 and name HG2 ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 47 and name HG1 ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 47 and name HA )(resid 48 and name HN ) 4.0 2.2 1.0 !assign (resid 47 and name HB2 )(resid 47 and name HB1 ) 4.0 2.2 1.0 !assign (resid 47 and name HB1 )(resid 47 and name HB2 ) 4.0 2.2 1.0 !assign (resid 47 and name HB2 )(resid 47 and name HG2 ) 4.0 2.2 1.0 !assign (resid 47 and name HB2 )(resid 47 and name HG1 ) 4.0 2.2 1.0 !assign (resid 47 and name HB1 )(resid 47 and name HG2 ) 4.0 2.2 1.0 !assign (resid 47 and name HB1 )(resid 47 and name HG1 ) 4.0 2.2 1.0 assign (resid 47 and name HB2 )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 47 and name HB1 )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 47 and name HB# )(resid 47 and name HE# ) 4.0 2.2 3.0 assign (resid 47 and name HB2 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HB1 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HB# )(resid 48 and name HA ) 4.0 2.2 2.0 !assign (resid 47 and name HG2 )(resid 47 and name HG1 ) 4.0 2.2 1.0 !assign (resid 47 and name HG1 )(resid 47 and name HG2 ) 4.0 2.2 1.0 !assign (resid 47 and name HG2 )(resid 47 and name HD# ) 4.0 2.2 2.0 !assign (resid 47 and name HG1 )(resid 47 and name HD# ) 4.0 2.2 2.0 assign (resid 47 and name HG2 )(resid 47 and name HE# ) 4.0 2.2 2.0 assign (resid 47 and name HG1 )(resid 47 and name HE# ) 4.0 2.2 2.0 !assign (resid 47 and name HD2 )(resid 47 and name HE# ) 4.0 2.2 2.0 !assign (resid 47 and name HD1 )(resid 47 and name HE# ) 4.0 2.2 2.0 !V48 assign (resid 48 and name HN )(resid 48 and name HA ) 3.0 1.2 0.5 assign (resid 48 and name HN )(resid 48 and name HB ) 3.0 1.2 0.5 assign (resid 48 and name HN )(resid 48 and name HG2# ) 4.0 2.2 2.0 assign (resid 48 and name HN )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HN )(resid 51 and name HG2# ) 4.0 2.2 2.0 !assign (resid 48 and name HA )(resid 48 and name HB ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 48 and name HG1# ) 4.0 2.2 2.0 assign (resid 48 and name HA )(resid 48 and name HG2# ) 4.0 2.2 2.0 assign (resid 48 and name HA )(resid 49 and name HN ) 2.5 0.7 0.4 assign (resid 48 and name HA )(resid 49 and name HA ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 49 and name HB# ) 4.0 2.2 2.0 assign (resid 48 and name HA )(resid 49 and name HG# ) 4.0 2.2 2.0 !assign (resid 48 and name HB )(resid 48 and name HG1# ) 4.0 2.2 2.0 !assign (resid 48 and name HB )(resid 48 and name HG2# ) 4.0 2.2 2.0 assign (resid 48 and name HB )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HB )(resid 51 and name HG1# ) 4.0 2.2 2.0 assign (resid 48 and name HB )(resid 51 and name HG2# ) 4.0 2.2 2.0 !assign (resid 48 and name HG1# )(resid 48 and name HG2# ) 4.0 2.2 3.0 assign (resid 48 and name HG1# )(resid 49 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HG2# )(resid 49 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 49 and name HA ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 50 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 51 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 51 and name HG2# ) 4.0 2.2 3.0 assign (resid 48 and name HG1# )(resid 74 and name HA ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 74 and name HG2# ) 4.0 2.2 3.0 assign (resid 48 and name HG1# )(resid 77 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 77 and name HB2 ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 77 and name HB1 ) 4.0 2.2 2.0 assign (resid 48 and name HG2# )(resid 77 and name HB2 ) 4.0 2.2 2.0 assign (resid 48 and name HG2# )(resid 77 and name HB1 ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 77 and name HG2 ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 77 and name HG1 ) 4.0 2.2 2.0 assign (resid 48 and name HG2# )(resid 77 and name HG2 ) 4.0 2.2 2.0 assign (resid 48 and name HG2# )(resid 77 and name HG1 ) 4.0 2.2 2.0 assign (resid 48 and name HG1# )(resid 77 and name HD# ) 4.0 2.2 3.0 assign (resid 48 and name HG2# )(resid 77 and name HD# ) 4.0 2.2 3.0 assign (resid 48 and name HG1# )(resid 77 and name HE# ) 4.0 2.2 3.0 assign (resid 48 and name HG1# )(resid 78 and name HN ) 4.0 2.2 2.0 !E49 assign (resid 49 and name HN )(resid 49 and name HA ) 3.0 1.2 0.5 assign (resid 49 and name HN )(resid 49 and name HB# ) 3.0 1.2 1.5 assign (resid 49 and name HN )(resid 49 and name HG# ) 4.0 2.2 2.0 !assign (resid 49 and name HA )(resid 49 and name HB2 ) 4.0 2.2 1.0 !assign (resid 49 and name HA )(resid 49 and name HB1 ) 4.0 2.2 1.0 assign (resid 49 and name HA )(resid 49 and name HG# ) 4.0 2.2 2.0 assign (resid 49 and name HA )(resid 50 and name HN ) 2.5 0.7 0.4 assign (resid 49 and name HA )(resid 50 and name HA# ) 4.0 2.2 1.6 assign (resid 49 and name HA )(resid 51 and name HN ) 4.0 2.2 1.0 !assign (resid 49 and name HB# )(resid 49 and name HG# ) 4.0 2.2 3.0 assign (resid 49 and name HB# )(resid 50 and name HN ) 4.0 2.2 2.0 assign (resid 49 and name HG# )(resid 50 and name HN ) 4.0 2.2 2.0 !G50 assign (resid 50 and name HN )(resid 50 and name HA2 ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 50 and name HA1 ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 51 and name HN ) 3.0 1.2 0.5 assign (resid 50 and name HN )(resid 51 and name HG2# ) 4.0 2.2 2.0 assign (resid 50 and name HN )(resid 69 and name HB# ) 4.0 2.2 2.0 !assign (resid 50 and name HA2 )(resid 50 and name HA1 ) 2.5 0.7 0.4 !assign (resid 50 and name HA1 )(resid 50 and name HA2 ) 2.5 0.7 0.4 assign (resid 50 and name HA2 )(resid 51 and name HN ) 4.0 2.2 1.0 assign (resid 50 and name HA1 )(resid 51 and name HN ) 4.0 2.2 1.0 assign (resid 50 and name HA# )(resid 66 and name HN ) 4.0 2.2 2.0 assign (resid 50 and name HA# )(resid 66 and name HB# ) 4.0 2.2 3.0 assign (resid 50 and name HA# )(resid 66 and name HG2 ) 4.0 2.2 2.0 assign (resid 50 and name HA# )(resid 66 and name HG1 ) 4.0 2.2 2.0 assign (resid 50 and name HA2 )(resid 69 and name HB# ) 4.0 2.2 2.0 assign (resid 50 and name HA1 )(resid 69 and name HB# ) 4.0 2.2 2.0 assign (resid 50 and name HA2 )(resid 74 and name HG2# ) 4.0 2.2 2.0 assign (resid 50 and name HA1 )(resid 74 and name HG2# ) 4.0 2.2 2.0 !V51 assign (resid 51 and name HN )(resid 51 and name HA ) 4.0 2.2 1.0 assign (resid 51 and name HN )(resid 51 and name HB ) 3.0 1.2 0.5 assign (resid 51 and name HN )(resid 51 and name HG2# ) 4.0 2.2 2.0 assign (resid 51 and name HN )(resid 74 and name HG2# ) 4.0 2.2 2.0 !assign (resid 51 and name HA )(resid 51 and name HB ) 4.0 2.2 1.0 assign (resid 51 and name HA )(resid 51 and name HG1# ) 4.0 2.2 2.0 assign (resid 51 and name HA )(resid 51 and name HG2# ) 4.0 2.2 2.0 assign (resid 51 and name HA )(resid 52 and name HN ) 3.0 1.2 0.5 assign (resid 51 and name HA )(resid 65 and name HA ) 4.0 2.2 1.0 assign (resid 51 and name HA )(resid 66 and name HN ) 4.0 2.2 1.0 !assign (resid 51 and name HB )(resid 51 and name HG1# ) 4.0 2.2 2.0 !assign (resid 51 and name HB )(resid 51 and name HG2# ) 4.0 2.2 2.0 assign (resid 51 and name HB )(resid 52 and name HN ) 4.0 2.2 1.0 !assign (resid 51 and name HG1# )(resid 51 and name HG2# ) 4.0 2.2 3.0 assign (resid 51 and name HG1# )(resid 52 and name HN ) 4.0 2.2 2.0 assign (resid 51 and name HG2# )(resid 52 and name HN ) 4.0 2.2 2.0 assign (resid 51 and name HG1# )(resid 53 and name HN ) 4.0 2.2 2.0 assign (resid 51 and name HG1# )(resid 63 and name HG1# ) 4.0 2.2 3.0 assign (resid 51 and name HG2# )(resid 63 and name HG1# ) 4.0 2.2 3.0 assign (resid 51 and name HG1# )(resid 64 and name HN ) 4.0 2.2 2.0 assign (resid 51 and name HG1# )(resid 65 and name HA ) 4.0 2.2 2.0 assign (resid 51 and name HG2# )(resid 74 and name HG2# ) 4.0 2.2 3.0 !K52 assign (resid 52 and name HN )(resid 52 and name HA ) 4.0 2.2 1.0 assign (resid 52 and name HN )(resid 52 and name HB2 ) 4.0 2.2 1.0 assign (resid 52 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0 assign (resid 52 and name HN )(resid 53 and name HN ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 64 and name HB# ) 4.0 2.2 2.0 assign (resid 52 and name HN )(resid 65 and name HA ) 4.0 2.2 1.0 assign (resid 52 and name HN )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HA )(resid 53 and name HN ) 4.0 2.2 1.0 !assign (resid 52 and name HB2 )(resid 52 and name HB1 ) 3.0 1.2 0.5 !assign (resid 52 and name HB1 )(resid 52 and name HB2 ) 3.0 1.2 0.5 !assign (resid 52 and name HB# )(resid 52 and name HG# ) 4.0 2.2 3.0 assign (resid 52 and name HB# )(resid 52 and name HD# ) 4.0 2.2 3.0 assign (resid 52 and name HB2 )(resid 52 and name HE# ) 4.0 2.2 2.0 assign (resid 52 and name HB1 )(resid 52 and name HE# ) 4.0 2.2 2.0 assign (resid 52 and name HB2 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HB1 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HB# )(resid 64 and name HB2 ) 4.0 2.2 2.0 assign (resid 52 and name HB# )(resid 64 and name HB1 ) 4.0 2.2 2.0 assign (resid 52 and name HB# )(resid 66 and name HG# ) 4.0 2.2 3.0 !assign (resid 52 and name HG# )(resid 52 and name HD# ) 4.0 2.2 3.0 assign (resid 52 and name HG2 )(resid 52 and name HE# ) 4.0 2.2 2.0 assign (resid 52 and name HG1 )(resid 52 and name HE# ) 4.0 2.2 2.0 !assign (resid 52 and name HD# )(resid 52 and name HE# ) 4.0 2.2 3.0 assign (resid 52 and name HE# )(resid 64 and name HB# ) 4.0 2.2 3.0 assign (resid 52 and name HE# )(resid 66 and name HB# ) 4.0 2.2 3.0 !S53 assign (resid 53 and name HN )(resid 53 and name HA ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 53 and name HB2 ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 53 and name HB1 ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 63 and name HG1# ) 4.0 2.2 2.0 assign (resid 53 and name HN )(resid 64 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 65 and name HA ) 4.0 2.2 1.0 assign (resid 53 and name HA )(resid 54 and name HN ) 2.5 0.7 0.4 assign (resid 53 and name HB2 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB1 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB# )(resid 64 and name HB# ) 4.0 2.2 3.0 !I54 assign (resid 54 and name HN )(resid 54 and name HA ) 4.0 2.2 1.0 assign (resid 54 and name HN )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 54 and name HN )(resid 54 and name HG1# ) 4.0 2.2 2.0 assign (resid 54 and name HN )(resid 54 and name HG2# ) 4.0 2.2 2.0 assign (resid 54 and name HN )(resid 54 and name HD1# ) 4.0 2.2 2.0 assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 54 and name HG2# ) 4.0 2.2 1.6 assign (resid 54 and name HA )(resid 55 and name HN ) 2.5 0.7 0.4 assign (resid 54 and name HA )(resid 64 and name HN ) 4.0 2.2 1.0 !assign (resid 54 and name HB )(resid 54 and name HG1# ) 4.0 2.2 2.0 !assign (resid 54 and name HB )(resid 54 and name HG2# ) 4.0 2.2 2.0 assign (resid 54 and name HB )(resid 54 and name HD1# ) 4.0 2.2 2.0 assign (resid 54 and name HB )(resid 55 and name HN ) 4.0 2.2 1.0 !assign (resid 54 and name HG12 )(resid 54 and name HG11 ) 4.0 2.2 1.0 !assign (resid 54 and name HG11 )(resid 54 and name HG12 ) 4.0 2.2 1.0 assign (resid 54 and name HG12 )(resid 54 and name HG2# ) 4.0 2.2 2.0 assign (resid 54 and name HG11 )(resid 54 and name HG2# ) 4.0 2.2 2.0 !assign (resid 54 and name HG12 )(resid 54 and name HD1# ) 4.0 2.2 2.0 !assign (resid 54 and name HG11 )(resid 54 and name HD1# ) 4.0 2.2 2.0 assign (resid 54 and name HG1# )(resid 55 and name HN ) 4.0 2.2 2.0 assign (resid 54 and name HG1# )(resid 61 and name HG2# ) 4.0 2.2 3.0 assign (resid 54 and name HG1# )(resid 63 and name HG1# ) 4.0 2.2 3.0 assign (resid 54 and name HG1# )(resid 63 and name HG2# ) 4.0 2.2 3.0 assign (resid 54 and name HG2# )(resid 55 and name HN ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 55 and name HA ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 56 and name HN ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 56 and name HB2 ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 56 and name HB1 ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 61 and name HA ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 61 and name HB ) 4.0 2.2 2.0 assign (resid 54 and name HG2# )(resid 62 and name HN ) 4.0 2.2 2.0 !F55 assign (resid 55 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 55 and name HB1 ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 62 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 62 and name HB# ) 4.0 2.2 2.0 assign (resid 55 and name HN )(resid 63 and name HA ) 4.0 2.2 1.0 !assign (resid 55 and name HA )(resid 55 and name HB2 ) 4.0 2.2 1.0 !assign (resid 55 and name HA )(resid 55 and name HB1 ) 4.0 2.2 1.0 assign (resid 55 and name HA )(resid 55 and name HD# ) 4.0 2.2 2.0 assign (resid 55 and name HA )(resid 56 and name HN ) 3.0 1.2 0.5 assign (resid 55 and name HB2 )(resid 55 and name HD# ) 4.0 2.2 3.0 assign (resid 55 and name HB1 )(resid 55 and name HD# ) 4.0 2.2 3.0 assign (resid 55 and name HB# )(resid 56 and name HN ) 4.0 2.2 2.0 assign (resid 55 and name HB# )(resid 62 and name HN ) 4.0 2.2 2.0 assign (resid 55 and name HB2 )(resid 62 and name HB# ) 4.0 2.2 2.0 assign (resid 55 and name HB1 )(resid 62 and name HB# ) 4.0 2.2 2.0 !assign (resid 55 and name HD# )(resid 55 and name HE# ) 4.0 2.2 5.0 assign (resid 55 and name HD# )(resid 56 and name HN ) 4.0 2.2 3.0 assign (resid 55 and name HD# )(resid 57 and name HG1# ) 4.0 2.2 4.0 assign (resid 55 and name HD# )(resid 62 and name HB# ) 4.0 2.2 4.0 !assign (resid 55 and name HE# )(resid 55 and name HZ ) 4.0 2.2 3.0 assign (resid 55 and name HE# )(resid 57 and name HB ) 4.0 2.2 3.0 assign (resid 55 and name HE# )(resid 57 and name HG1# ) 4.0 2.2 4.0 assign (resid 55 and name HE# )(resid 57 and name HG2# ) 4.0 2.2 4.0 assign (resid 55 and name HE# )(resid 60 and name HZ ) 4.0 2.2 3.0 assign (resid 55 and name HZ )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 55 and name HZ )(resid 57 and name HG2# ) 4.0 2.2 2.0 !H56 assign (resid 56 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 56 and name HB2 ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 56 and name HB1 ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 61 and name HG2# ) 4.0 2.2 2.0 !assign (resid 56 and name HA )(resid 56 and name HB2 ) 4.0 2.2 1.0 !assign (resid 56 and name HA )(resid 56 and name HB1 ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 56 and name HD2 ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 57 and name HN ) 3.0 1.2 0.5 assign (resid 56 and name HA )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 56 and name HA )(resid 61 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 61 and name HG2# ) 4.0 2.2 2.0 !assign (resid 56 and name HB2 )(resid 56 and name HB1 ) 2.5 0.7 0.4 !assign (resid 56 and name HB1 )(resid 56 and name HB2 ) 2.5 0.7 0.4 assign (resid 56 and name HB# )(resid 56 and name HD2 ) 4.0 2.2 2.0 assign (resid 56 and name HB# )(resid 57 and name HN ) 4.0 2.2 2.0 assign (resid 56 and name HB2 )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 56 and name HB1 )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 56 and name HD2 )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 56 and name HD2 )(resid 57 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HD2 )(resid 60 and name HN ) 4.0 2.2 1.0 assign (resid 56 and name HD2 )(resid 61 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HD2 )(resid 61 and name HG1# ) 4.0 2.2 2.0 assign (resid 56 and name HD2 )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 56 and name HD2 )(resid 61 and name HD1# ) 4.0 2.2 2.0 !V57 assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 57 and name HB ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 57 and name HN )(resid 57 and name HG2# ) 4.0 2.2 2.0 assign (resid 57 and name HN )(resid 60 and name HN ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 61 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 57 and name HN )(resid 62 and name HN ) 4.0 2.2 1.0 !assign (resid 57 and name HA )(resid 57 and name HB ) 3.0 1.2 0.5 assign (resid 57 and name HA )(resid 57 and name HG1# ) 4.0 2.2 2.0 assign (resid 57 and name HA )(resid 57 and name HG2# ) 4.0 2.2 2.0 assign (resid 57 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5 !assign (resid 57 and name HB )(resid 57 and name HG1# ) 4.0 2.2 2.0 !assign (resid 57 and name HB )(resid 57 and name HG2# ) 4.0 2.2 2.0 assign (resid 57 and name HB )(resid 58 and name HN ) 4.0 2.2 1.0 assign (resid 57 and name HB )(resid 60 and name HZ ) 4.0 2.2 1.0 !assign (resid 57 and name HG1# )(resid 57 and name HG2# ) 4.0 2.2 3.0 assign (resid 57 and name HG1# )(resid 58 and name HN ) 4.0 2.2 2.0 assign (resid 57 and name HG2# )(resid 58 and name HN ) 4.0 2.2 2.0 assign (resid 57 and name HG1# )(resid 58 and name HB# ) 4.0 2.2 3.0 assign (resid 57 and name HG1# )(resid 58 and name HG# ) 4.0 2.2 3.0 assign (resid 57 and name HG2# )(resid 58 and name HG# ) 4.0 2.2 3.0 assign (resid 57 and name HG1# )(resid 60 and name HN ) 4.0 2.2 2.0 assign (resid 57 and name HG1# )(resid 60 and name HD# ) 4.0 2.2 4.0 assign (resid 57 and name HG1# )(resid 60 and name HE# ) 4.0 2.2 4.0 assign (resid 57 and name HG1# )(resid 60 and name HZ ) 4.0 2.2 2.0 assign (resid 57 and name HG2# )(resid 60 and name HZ ) 4.0 2.2 2.0 !M58 assign (resid 58 and name HN )(resid 58 and name HA ) 3.0 1.2 0.5 assign (resid 58 and name HN )(resid 58 and name HB# ) 4.0 2.2 2.0 assign (resid 58 and name HN )(resid 58 and name HG# ) 4.0 2.2 2.0 !assign (resid 58 and name HA )(resid 58 and name HB2 ) 4.0 2.2 1.0 !assign (resid 58 and name HA )(resid 58 and name HB1 ) 4.0 2.2 1.0 assign (resid 58 and name HA )(resid 58 and name HG# ) 4.0 2.2 2.0 assign (resid 58 and name HA )(resid 59 and name HN ) 4.0 2.2 1.0 !assign (resid 58 and name HB2 )(resid 58 and name HG# ) 4.0 2.2 2.0 !assign (resid 58 and name HB1 )(resid 58 and name HG# ) 4.0 2.2 2.0 assign (resid 58 and name HB# )(resid 59 and name HN ) 3.0 1.2 1.5 assign (resid 58 and name HB# )(resid 60 and name HN ) 4.0 2.2 2.0 assign (resid 58 and name HB# )(resid 60 and name HD# ) 4.0 2.2 4.0 assign (resid 58 and name HB# )(resid 60 and name HE# ) 4.0 2.2 4.0 assign (resid 58 and name HG# )(resid 59 and name HB2 ) 4.0 2.2 2.0 assign (resid 58 and name HG# )(resid 59 and name HB1 ) 4.0 2.2 2.0 !D59 assign (resid 59 and name HN )(resid 59 and name HA ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 59 and name HB2 ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 59 and name HB1 ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 60 and name HN ) 4.0 2.2 1.0 assign (resid 59 and name HN )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 59 and name HN )(resid 60 and name HE# ) 4.0 2.2 3.0 assign (resid 59 and name HA )(resid 60 and name HN ) 4.0 2.2 1.0 !assign (resid 59 and name HB2 )(resid 59 and name HB1 ) 2.5 0.7 0.4 !assign (resid 59 and name HB1 )(resid 59 and name HB2 ) 2.5 0.7 0.4 assign (resid 59 and name HB# )(resid 60 and name HN ) 4.0 2.2 2.0 !F60 assign (resid 60 and name HN )(resid 60 and name HA ) 4.0 2.2 1.0 assign (resid 60 and name HN )(resid 60 and name HB2 ) 4.0 2.2 1.0 assign (resid 60 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1.0 assign (resid 60 and name HN )(resid 60 and name HD# ) 4.0 2.2 3.0 !assign (resid 60 and name HA )(resid 60 and name HB2 ) 4.0 2.2 1.0 !assign (resid 60 and name HA )(resid 60 and name HB1 ) 4.0 2.2 1.0 assign (resid 60 and name HA )(resid 60 and name HD# ) 4.0 2.2 2.0 assign (resid 60 and name HA )(resid 61 and name HN ) 3.0 1.2 0.5 assign (resid 60 and name HA )(resid 61 and name HG1# ) 4.0 2.2 2.0 assign (resid 60 and name HB2 )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 60 and name HB1 )(resid 60 and name HD# ) 4.0 2.2 3.0 assign (resid 60 and name HB2 )(resid 61 and name HN ) 4.0 2.2 1.0 assign (resid 60 and name HB1 )(resid 61 and name HN ) 4.0 2.2 1.0 !assign (resid 60 and name HD# )(resid 60 and name HE# ) 4.0 2.2 5.0 assign (resid 60 and name HD# )(resid 61 and name HN ) 4.0 2.2 3.0 assign (resid 60 and name HD# )(resid 61 and name HA ) 4.0 2.2 3.0 assign (resid 60 and name HD# )(resid 61 and name HG1# ) 4.0 2.2 4.0 assign (resid 60 and name HD# )(resid 61 and name HG2# ) 4.0 2.2 4.0 assign (resid 60 and name HD# )(resid 62 and name HN ) 4.0 2.2 3.0 assign (resid 60 and name HD# )(resid 62 and name HB# ) 4.0 2.2 4.0 !assign (resid 60 and name HE# )(resid 60 and name HZ ) 4.0 2.2 3.0 assign (resid 60 and name HE# )(resid 62 and name HB# ) 4.0 2.2 4.0 !I61 assign (resid 61 and name HN )(resid 61 and name HA ) 4.0 2.2 1.0 assign (resid 61 and name HN )(resid 61 and name HB ) 4.0 2.2 1.0 assign (resid 61 and name HN )(resid 61 and name HG12 ) 4.0 2.2 1.0 assign (resid 61 and name HN )(resid 61 and name HG11 ) 4.0 2.2 1.0 assign (resid 61 and name HN )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 61 and name HN )(resid 61 and name HD1# ) 4.0 2.2 2.0 assign (resid 61 and name HN )(resid 62 and name HN ) 4.0 2.2 1.0 !assign (resid 61 and name HA )(resid 61 and name HB ) 4.0 2.2 1.0 assign (resid 61 and name HA )(resid 61 and name HG2# ) 4.0 2.2 1.6 assign (resid 61 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5 !assign (resid 61 and name HB )(resid 61 and name HG12 ) 4.0 2.2 1.0 !assign (resid 61 and name HB )(resid 61 and name HG11 ) 4.0 2.2 1.0 !assign (resid 61 and name HB )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 61 and name HB )(resid 61 and name HD1# ) 4.0 2.2 2.0 assign (resid 61 and name HB )(resid 62 and name HN ) 4.0 2.2 1.0 assign (resid 61 and name HB )(resid 63 and name HG2# ) 4.0 2.2 2.0 !assign (resid 61 and name HG12 )(resid 61 and name HG11 ) 4.0 2.2 1.0 !assign (resid 61 and name HG11 )(resid 61 and name HG12 ) 4.0 2.2 1.0 assign (resid 61 and name HG12 )(resid 61 and name HG2# ) 4.0 2.2 2.0 assign (resid 61 and name HG11 )(resid 61 and name HG2# ) 4.0 2.2 2.0 !assign (resid 61 and name HG12 )(resid 61 and name HD1# ) 4.0 2.2 2.0 !assign (resid 61 and name HG11 )(resid 61 and name HD1# ) 4.0 2.2 2.0 assign (resid 61 and name HG1# )(resid 62 and name HN ) 4.0 2.2 2.0 assign (resid 61 and name HG2# )(resid 62 and name HN ) 4.0 2.2 2.0 assign (resid 61 and name HG2# )(resid 63 and name HG2# ) 4.0 2.2 3.0 assign (resid 61 and name HD1# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 61 and name HD1# )(resid 82 and name HZ ) 4.0 2.2 2.0 !S62 assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0 assign (resid 62 and name HN )(resid 62 and name HB# ) 3.0 1.2 1.5 assign (resid 62 and name HN )(resid 63 and name HG2# ) 4.0 2.2 2.0 !assign (resid 62 and name HA )(resid 62 and name HB# ) 3.0 1.2 1.5 assign (resid 62 and name HA )(resid 63 and name HN ) 3.0 1.2 0.5 assign (resid 62 and name HA )(resid 63 and name HG2# ) 4.0 2.2 2.0 assign (resid 62 and name HB# )(resid 63 and name HN ) 4.0 2.2 2.0 !V63 assign (resid 63 and name HN )(resid 63 and name HA ) 4.0 2.2 1.0 assign (resid 63 and name HN )(resid 63 and name HB ) 3.0 1.2 0.5 assign (resid 63 and name HN )(resid 63 and name HG2# ) 4.0 2.2 2.0 !assign (resid 63 and name HB )(resid 63 and name HG1# ) 4.0 2.2 2.0 !assign (resid 63 and name HB )(resid 63 and name HG2# ) 4.0 2.2 2.0 assign (resid 63 and name HB )(resid 64 and name HN ) 4.0 2.2 1.0 assign (resid 63 and name HB )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 63 and name HB )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 63 and name HG1# )(resid 63 and name HG2# ) 4.0 2.2 3.0 assign (resid 63 and name HG1# )(resid 64 and name HN ) 4.0 2.2 2.0 assign (resid 63 and name HG1# )(resid 64 and name HA ) 4.0 2.2 2.0 assign (resid 63 and name HG1# )(resid 71 and name HZ2 ) 4.0 2.2 2.0 assign (resid 63 and name HG1# )(resid 71 and name HH2 ) 4.0 2.2 2.0 assign (resid 63 and name HG1# )(resid 71 and name HZ3 ) 4.0 2.2 2.0 !D64 assign (resid 64 and name HN )(resid 64 and name HA ) 4.0 2.2 1.0 assign (resid 64 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0 assign (resid 64 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0 !assign (resid 64 and name HA )(resid 64 and name HB2 ) 4.0 2.2 1.0 !assign (resid 64 and name HA )(resid 64 and name HB1 ) 4.0 2.2 1.0 assign (resid 64 and name HA )(resid 65 and name HN ) 3.0 1.2 0.5 assign (resid 64 and name HA )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 64 and name HA )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 64 and name HB2 )(resid 64 and name HB1 ) 2.5 0.7 0.4 !assign (resid 64 and name HB1 )(resid 64 and name HB2 ) 2.5 0.7 0.4 assign (resid 64 and name HB2 )(resid 65 and name HN ) 4.0 2.2 1.0 assign (resid 64 and name HB1 )(resid 65 and name HN ) 4.0 2.2 1.0 !K65 assign (resid 65 and name HN )(resid 65 and name HA ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HB2 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HG2 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HG1 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HD2 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 65 and name HD1 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 65 and name HN )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 65 and name HA )(resid 65 and name HB2 ) 4.0 2.2 1.0 !assign (resid 65 and name HA )(resid 65 and name HB1 ) 4.0 2.2 1.0 assign (resid 65 and name HA )(resid 65 and name HG2 ) 4.0 2.2 1.0 assign (resid 65 and name HA )(resid 65 and name HG1 ) 4.0 2.2 1.0 assign (resid 65 and name HA )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HA )(resid 69 and name HB# ) 4.0 2.2 2.0 !assign (resid 65 and name HB2 )(resid 65 and name HB1 ) 3.0 1.2 0.5 !assign (resid 65 and name HB1 )(resid 65 and name HB2 ) 3.0 1.2 0.5 !assign (resid 65 and name HB2 )(resid 65 and name HG# ) 4.0 2.2 2.0 !assign (resid 65 and name HB1 )(resid 65 and name HG# ) 4.0 2.2 2.0 assign (resid 65 and name HB2 )(resid 65 and name HD2 ) 4.0 2.2 1.0 assign (resid 65 and name HB2 )(resid 65 and name HD1 ) 4.0 2.2 1.0 assign (resid 65 and name HB1 )(resid 65 and name HD2 ) 4.0 2.2 1.0 assign (resid 65 and name HB1 )(resid 65 and name HD1 ) 4.0 2.2 1.0 assign (resid 65 and name HB2 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HB1 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HB# )(resid 69 and name HB# ) 4.0 2.2 3.0 assign (resid 65 and name HB# )(resid 71 and name HZ2 ) 4.0 2.2 2.0 assign (resid 65 and name HB# )(resid 71 and name HH2 ) 4.0 2.2 2.0 !assign (resid 65 and name HG2 )(resid 65 and name HD# ) 4.0 2.2 2.0 !assign (resid 65 and name HG1 )(resid 65 and name HD# ) 4.0 2.2 2.0 assign (resid 65 and name HG2 )(resid 65 and name HE# ) 4.0 2.2 2.0 assign (resid 65 and name HG1 )(resid 65 and name HE# ) 4.0 2.2 2.0 assign (resid 65 and name HG2 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HG1 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HG# )(resid 66 and name HA ) 4.0 2.2 2.0 assign (resid 65 and name HG2 )(resid 71 and name HE1 ) 4.0 2.2 1.0 assign (resid 65 and name HG1 )(resid 71 and name HE1 ) 4.0 2.2 1.0 assign (resid 65 and name HG2 )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 65 and name HG1 )(resid 71 and name HZ2 ) 4.0 2.2 1.0 assign (resid 65 and name HG# )(resid 71 and name HH2 ) 4.0 2.2 2.0 !assign (resid 65 and name HD2 )(resid 65 and name HE# ) 4.0 2.2 2.0 !assign (resid 65 and name HD1 )(resid 65 and name HE# ) 4.0 2.2 2.0 assign (resid 65 and name HD2 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HD1 )(resid 66 and name HN ) 4.0 2.2 1.0 assign (resid 65 and name HD# )(resid 69 and name HN ) 4.0 2.2 2.0 assign (resid 65 and name HD2 )(resid 69 and name HB# ) 4.0 2.2 2.0 assign (resid 65 and name HD1 )(resid 69 and name HB# ) 4.0 2.2 2.0 assign (resid 65 and name HD# )(resid 71 and name HN ) 4.0 2.2 2.0 assign (resid 65 and name HD# )(resid 71 and name HE1 ) 4.0 2.2 2.0 assign (resid 65 and name HE# )(resid 71 and name HN ) 4.0 2.2 2.0 assign (resid 65 and name HE# )(resid 71 and name HD1 ) 4.0 2.2 2.0 assign (resid 65 and name HE# )(resid 71 and name HE1 ) 4.0 2.2 2.0 assign (resid 65 and name HE# )(resid 71 and name HZ2 ) 4.0 2.2 2.0 !E66 assign (resid 66 and name HN )(resid 66 and name HA ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 66 and name HB2 ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 66 and name HB1 ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 66 and name HG2 ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 66 and name HG1 ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HN )(resid 69 and name HB# ) 4.0 2.2 2.0 !assign (resid 66 and name HA )(resid 66 and name HB2 ) 4.0 2.2 1.0 !assign (resid 66 and name HA )(resid 66 and name HB1 ) 4.0 2.2 1.0 assign (resid 66 and name HA )(resid 66 and name HG2 ) 4.0 2.2 1.0 assign (resid 66 and name HA )(resid 66 and name HG1 ) 4.0 2.2 1.0 assign (resid 66 and name HA )(resid 67 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HA )(resid 67 and name HB# ) 4.0 2.2 2.0 !assign (resid 66 and name HB2 )(resid 66 and name HB1 ) 2.5 0.7 0.4 !assign (resid 66 and name HB1 )(resid 66 and name HB2 ) 2.5 0.7 0.4 !assign (resid 66 and name HB2 )(resid 66 and name HG2 ) 4.0 2.2 1.0 !assign (resid 66 and name HB2 )(resid 66 and name HG1 ) 4.0 2.2 1.0 !assign (resid 66 and name HB1 )(resid 66 and name HG2 ) 4.0 2.2 1.0 !assign (resid 66 and name HB1 )(resid 66 and name HG1 ) 4.0 2.2 1.0 assign (resid 66 and name HB# )(resid 67 and name HN ) 4.0 2.2 2.0 assign (resid 66 and name HB# )(resid 67 and name HB# ) 4.0 2.2 3.0 assign (resid 66 and name HB2 )(resid 68 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HB1 )(resid 68 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HB2 )(resid 69 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HB1 )(resid 69 and name HN ) 4.0 2.2 1.0 assign (resid 66 and name HB2 )(resid 69 and name HB# ) 4.0 2.2 2.0 assign (resid 66 and name HB1 )(resid 69 and name HB# ) 4.0 2.2 2.0 !assign (resid 66 and name HG2 )(resid 66 and name HG1 ) 4.0 2.2 1.0 !assign (resid 66 and name HG1 )(resid 66 and name HG2 ) 4.0 2.2 1.0 assign (resid 66 and name HG# )(resid 69 and name HB# ) 4.0 2.2 3.0 !N67 assign (resid 67 and name HN )(resid 67 and name HA ) 4.0 2.2 1.0 assign (resid 67 and name HN )(resid 67 and name HB# ) 4.0 2.2 2.0 assign (resid 67 and name HN )(resid 68 and name HN ) 4.0 2.2 1.0 !assign (resid 67 and name HA )(resid 67 and name HB# ) 4.0 2.2 2.0 assign (resid 67 and name HA )(resid 68 and name HN ) 4.0 2.2 1.0 assign (resid 67 and name HB# )(resid 67 and name HD21 ) 4.0 2.2 2.0 assign (resid 67 and name HB# )(resid 67 and name HD22 ) 4.0 2.2 2.0 assign (resid 67 and name HB# )(resid 68 and name HN ) 3.0 1.2 1.5 !assign (resid 67 and name HD21 )(resid 67 and name HD22 ) 4.0 2.2 1.0 !assign (resid 67 and name HD22 )(resid 67 and name HD21 ) 4.0 2.2 1.0 !D68 assign (resid 68 and name HN )(resid 68 and name HA ) 3.0 1.2 0.5 assign (resid 68 and name HN )(resid 68 and name HB# ) 3.0 1.2 1.5 assign (resid 68 and name HN )(resid 69 and name HN ) 3.0 1.2 0.5 !assign (resid 68 and name HA )(resid 68 and name HB# ) 4.0 2.2 2.0 assign (resid 68 and name HB# )(resid 69 and name HN ) 4.0 2.2 2.0 !A69 assign (resid 69 and name HN )(resid 69 and name HA ) 4.0 2.2 1.0 assign (resid 69 and name HN )(resid 69 and name HB# ) 4.0 2.2 1.6 !assign (resid 69 and name HA )(resid 69 and name HB# ) 4.0 2.2 1.2 assign (resid 69 and name HA )(resid 70 and name HN ) 4.0 2.2 1.0 assign (resid 69 and name HB# )(resid 70 and name HN ) 4.0 2.2 2.0 assign (resid 69 and name HB# )(resid 74 and name HG2# ) 4.0 2.2 3.0 !N70 assign (resid 70 and name HN )(resid 70 and name HA ) 4.0 2.2 1.0 assign (resid 70 and name HN )(resid 70 and name HB2 ) 4.0 2.2 1.0 assign (resid 70 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1.0 assign (resid 70 and name HN )(resid 74 and name HG2# ) 4.0 2.2 2.0 !assign (resid 70 and name HA )(resid 70 and name HB2 ) 4.0 2.2 1.0 !assign (resid 70 and name HA )(resid 70 and name HB1 ) 4.0 2.2 1.0 assign (resid 70 and name HA )(resid 71 and name HN ) 3.0 1.2 0.5 assign (resid 70 and name HB2 )(resid 70 and name HD21 ) 4.0 2.2 1.0 assign (resid 70 and name HB1 )(resid 70 and name HD21 ) 4.0 2.2 1.0 assign (resid 70 and name HB1 )(resid 70 and name HD22 ) 4.0 2.2 1.0 assign (resid 70 and name HB2 )(resid 71 and name HN ) 4.0 2.2 1.0 assign (resid 70 and name HB1 )(resid 71 and name HN ) 4.0 2.2 1.0 assign (resid 70 and name HB2 )(resid 72 and name HN ) 4.0 2.2 1.0 assign (resid 70 and name HB1 )(resid 72 and name HN ) 4.0 2.2 1.0 assign (resid 70 and name HB2 )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 70 and name HB1 )(resid 73 and name HN ) 4.0 2.2 1.0 !assign (resid 70 and name HD21 )(resid 70 and name HD22 ) 4.0 2.2 1.0 !assign (resid 70 and name HD22 )(resid 70 and name HD21 ) 4.0 2.2 1.0 !W71 assign (resid 71 and name HN )(resid 71 and name HA ) 4.0 2.2 1.0 assign (resid 71 and name HN )(resid 71 and name HB# ) 4.0 2.2 2.0 assign (resid 71 and name HN )(resid 71 and name HD1 ) 4.0 2.2 1.0 assign (resid 71 and name HN )(resid 72 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HN )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HA )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HA )(resid 74 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HA )(resid 75 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HB2 )(resid 71 and name HD1 ) 4.0 2.2 1.0 assign (resid 71 and name HB1 )(resid 71 and name HD1 ) 4.0 2.2 1.0 assign (resid 71 and name HB# )(resid 71 and name HE1 ) 4.0 2.2 2.0 assign (resid 71 and name HB# )(resid 71 and name HE3 ) 4.0 2.2 2.0 assign (resid 71 and name HB# )(resid 72 and name HN ) 4.0 2.2 2.0 assign (resid 71 and name HB# )(resid 75 and name HB# ) 4.0 2.2 3.0 assign (resid 71 and name HB# )(resid 75 and name HD1# ) 4.0 2.2 3.0 !assign (resid 71 and name HD1 )(resid 71 and name HE1 ) 4.0 2.2 1.0 !assign (resid 71 and name HE1 )(resid 71 and name HZ2 ) 4.0 2.2 1.0 !assign (resid 71 and name HE1 )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 71 and name HZ2 )(resid 71 and name HH2 ) 4.0 2.2 1.0 !assign (resid 71 and name HZ2 )(resid 71 and name HZ3 ) 4.0 2.2 1.0 !assign (resid 71 and name HH2 )(resid 71 and name HZ3 ) 4.0 2.2 1.0 assign (resid 71 and name HH2 )(resid 74 and name HG1# ) 4.0 2.2 2.0 !assign (resid 71 and name HZ3 )(resid 71 and name HE3 ) 4.0 2.2 1.0 assign (resid 71 and name HZ3 )(resid 74 and name HB ) 4.0 2.2 1.0 assign (resid 71 and name HZ3 )(resid 74 and name HG1# ) 4.0 2.2 2.0 assign (resid 71 and name HZ3 )(resid 78 and name HG2# ) 4.0 2.2 2.0 !assign (resid 71 and name HE3 )(resid 71 and name HZ3 ) 4.0 2.2 1.0 assign (resid 71 and name HE3 )(resid 74 and name HB ) 4.0 2.2 1.0 assign (resid 71 and name HE3 )(resid 74 and name HG1# ) 4.0 2.2 2.0 assign (resid 71 and name HE3 )(resid 75 and name HN ) 4.0 2.2 1.0 assign (resid 71 and name HE3 )(resid 75 and name HB# ) 4.0 2.2 2.0 assign (resid 71 and name HE3 )(resid 75 and name HG ) 4.0 2.2 1.0 assign (resid 71 and name HE3 )(resid 75 and name HD1# ) 4.0 2.2 2.0 !E72 assign (resid 72 and name HN )(resid 72 and name HA ) 4.0 2.2 1.0 assign (resid 72 and name HN )(resid 72 and name HB2 ) 4.0 2.2 1.0 assign (resid 72 and name HN )(resid 72 and name HB1 ) 4.0 2.2 1.0 assign (resid 72 and name HN )(resid 72 and name HG# ) 4.0 2.2 2.0 assign (resid 72 and name HN )(resid 73 and name HN ) 3.0 1.2 0.5 !assign (resid 72 and name HA )(resid 72 and name HB2 ) 4.0 2.2 1.0 !assign (resid 72 and name HA )(resid 72 and name HB1 ) 4.0 2.2 1.0 assign (resid 72 and name HA )(resid 72 and name HG# ) 4.0 2.2 2.0 assign (resid 72 and name HA )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 72 and name HA )(resid 74 and name HN ) 4.0 2.2 1.0 assign (resid 72 and name HA )(resid 75 and name HB# ) 4.0 2.2 2.0 !assign (resid 72 and name HB2 )(resid 72 and name HG# ) 4.0 2.2 2.0 !assign (resid 72 and name HB1 )(resid 72 and name HG# ) 4.0 2.2 2.0 assign (resid 72 and name HB2 )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 72 and name HB1 )(resid 73 and name HN ) 4.0 2.2 1.0 assign (resid 72 and name HG# )(resid 73 and name HN ) 4.0 2.2 2.0 assign (resid 72 and name HG# )(resid 75 and name HB# ) 4.0 2.2 3.0 !T73 assign (resid 73 and name HN )(resid 73 and name HA ) 4.0 2.2 1.0 assign (resid 73 and name HN )(resid 73 and name HB ) 4.0 2.2 1.0 assign (resid 73 and name HN )(resid 73 and name HG2# ) 4.0 2.2 2.0 assign (resid 73 and name HN )(resid 74 and name HN ) 2.5 0.7 0.4 assign (resid 73 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0 assign (resid 73 and name HN )(resid 74 and name HB ) 4.0 2.2 1.0 assign (resid 73 and name HN )(resid 74 and name HG1# ) 4.0 2.2 2.0 assign (resid 73 and name HN )(resid 74 and name HG2# ) 4.0 2.2 2.0 assign (resid 73 and name HN )(resid 75 and name HN ) 4.0 2.2 1.0 !assign (resid 73 and name HA )(resid 73 and name HB ) 3.0 1.2 0.5 assign (resid 73 and name HA )(resid 73 and name HG2# ) 4.0 2.2 1.6 assign (resid 73 and name HA )(resid 74 and name HN ) 4.0 2.2 1.0 !assign (resid 73 and name HB )(resid 73 and name HG2# ) 4.0 2.2 2.0 assign (resid 73 and name HB )(resid 74 and name HN ) 4.0 2.2 1.0 assign (resid 73 and name HG2# )(resid 74 and name HN ) 4.0 2.2 2.0 assign (resid 73 and name HG2# )(resid 74 and name HA ) 4.0 2.2 2.0 assign (resid 73 and name HG2# )(resid 74 and name HG1# ) 4.0 2.2 3.0 assign (resid 73 and name HG2# )(resid 77 and name HD# ) 4.0 2.2 3.0 assign (resid 73 and name HG2# )(resid 77 and name HE# ) 4.0 2.2 3.0 !V74 assign (resid 74 and name HN )(resid 74 and name HA ) 3.0 1.2 0.5 assign (resid 74 and name HN )(resid 74 and name HB ) 3.0 1.2 0.5 assign (resid 74 and name HN )(resid 74 and name HG1# ) 4.0 2.2 2.0 assign (resid 74 and name HN )(resid 74 and name HG2# ) 4.0 2.2 2.0 assign (resid 74 and name HN )(resid 75 and name HN ) 3.0 1.2 0.5 assign (resid 74 and name HN )(resid 76 and name HD# ) 4.0 2.2 2.0 !assign (resid 74 and name HA )(resid 74 and name HB ) 4.0 2.2 1.0 assign (resid 74 and name HA )(resid 74 and name HG1# ) 4.0 2.2 2.0 assign (resid 74 and name HA )(resid 74 and name HG2# ) 4.0 2.2 2.0 assign (resid 74 and name HA )(resid 75 and name HN ) 4.0 2.2 1.0 assign (resid 74 and name HA )(resid 77 and name HN ) 4.0 2.2 1.0 assign (resid 74 and name HA )(resid 77 and name HB# ) 4.0 2.2 2.0 assign (resid 74 and name HA )(resid 77 and name HD2 ) 4.0 2.2 1.0 assign (resid 74 and name HA )(resid 77 and name HD1 ) 4.0 2.2 1.0 !assign (resid 74 and name HB )(resid 74 and name HG1# ) 4.0 2.2 2.0 !assign (resid 74 and name HB )(resid 74 and name HG2# ) 4.0 2.2 2.0 assign (resid 74 and name HB )(resid 75 and name HN ) 4.0 2.2 1.0 assign (resid 74 and name HG1# )(resid 75 and name HN ) 4.0 2.2 2.0 assign (resid 74 and name HG2# )(resid 75 and name HN ) 4.0 2.2 2.0 assign (resid 74 and name HG1# )(resid 77 and name HN ) 4.0 2.2 2.0 assign (resid 74 and name HG2# )(resid 77 and name HN ) 4.0 2.2 2.0 assign (resid 74 and name HG2# )(resid 77 and name HD# ) 4.0 2.2 3.0 assign (resid 74 and name HG1# )(resid 78 and name HN ) 4.0 2.2 2.0 assign (resid 74 and name HG1# )(resid 78 and name HG2# ) 4.0 2.2 3.0 !L75 assign (resid 75 and name HN )(resid 75 and name HA ) 3.0 1.2 0.5 assign (resid 75 and name HN )(resid 75 and name HB# ) 3.0 1.2 1.5 assign (resid 75 and name HN )(resid 75 and name HG ) 4.0 2.2 1.0 assign (resid 75 and name HN )(resid 75 and name HD1# ) 4.0 2.2 2.0 assign (resid 75 and name HN )(resid 76 and name HD2 ) 4.0 2.2 1.0 assign (resid 75 and name HN )(resid 76 and name HD1 ) 4.0 2.2 1.0 assign (resid 75 and name HN )(resid 77 and name HN ) 4.0 2.2 1.0 !assign (resid 75 and name HA )(resid 75 and name HB# ) 4.0 2.2 2.0 assign (resid 75 and name HA )(resid 75 and name HG ) 4.0 2.2 1.0 assign (resid 75 and name HA )(resid 75 and name HD1# ) 4.0 2.2 2.0 assign (resid 75 and name HA )(resid 78 and name HB ) 4.0 2.2 1.0 assign (resid 75 and name HA )(resid 78 and name HG1# ) 4.0 2.2 2.0 assign (resid 75 and name HA )(resid 78 and name HG2# ) 4.0 2.2 2.0 assign (resid 75 and name HA )(resid 79 and name HN ) 4.0 2.2 1.0 !assign (resid 75 and name HB# )(resid 75 and name HG ) 4.0 2.2 2.0 assign (resid 75 and name HB# )(resid 75 and name HD1# ) 4.0 2.2 3.0 assign (resid 75 and name HB# )(resid 75 and name HD2# ) 4.0 2.2 3.0 assign (resid 75 and name HB# )(resid 76 and name HD2 ) 4.0 2.2 2.0 assign (resid 75 and name HB# )(resid 76 and name HD1 ) 4.0 2.2 2.0 !assign (resid 75 and name HG )(resid 75 and name HD1# ) 4.0 2.2 2.0 !assign (resid 75 and name HG )(resid 75 and name HD2# ) 4.0 2.2 2.0 assign (resid 75 and name HG )(resid 76 and name HD# ) 4.0 2.2 2.0 assign (resid 75 and name HD1# )(resid 76 and name HD# ) 4.0 2.2 3.0 assign (resid 75 and name HD2# )(resid 76 and name HD# ) 4.0 2.2 3.0 assign (resid 75 and name HD1# )(resid 78 and name HB ) 4.0 2.2 2.0 assign (resid 75 and name HD2# )(resid 78 and name HB ) 4.0 2.2 2.0 !P76 !assign (resid 76 and name HA )(resid 76 and name HB# ) 4.0 2.2 2.0 assign (resid 76 and name HA )(resid 77 and name HN ) 4.0 2.2 1.0 assign (resid 76 and name HA )(resid 79 and name HN ) 4.0 2.2 1.0 assign (resid 76 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0 !assign (resid 76 and name HB2 )(resid 76 and name HB1 ) 3.0 1.2 0.5 !assign (resid 76 and name HB1 )(resid 76 and name HB2 ) 3.0 1.2 0.5 !assign (resid 76 and name HB2 )(resid 76 and name HG2 ) 4.0 2.2 1.0 !assign (resid 76 and name HB2 )(resid 76 and name HG1 ) 4.0 2.2 1.0 !assign (resid 76 and name HB1 )(resid 76 and name HG2 ) 4.0 2.2 1.0 !assign (resid 76 and name HB1 )(resid 76 and name HG1 ) 4.0 2.2 1.0 !assign (resid 76 and name HB2 )(resid 76 and name HD2 ) 4.0 2.2 1.0 !assign (resid 76 and name HB2 )(resid 76 and name HD1 ) 4.0 2.2 1.0 !assign (resid 76 and name HB1 )(resid 76 and name HD2 ) 4.0 2.2 1.0 !assign (resid 76 and name HB1 )(resid 76 and name HD1 ) 4.0 2.2 1.0 assign (resid 76 and name HB2 )(resid 77 and name HN ) 4.0 2.2 1.0 assign (resid 76 and name HB1 )(resid 77 and name HN ) 4.0 2.2 1.0 !assign (resid 76 and name HG2 )(resid 76 and name HD2 ) 4.0 2.2 1.0 !assign (resid 76 and name HG2 )(resid 76 and name HD1 ) 4.0 2.2 1.0 !assign (resid 76 and name HG1 )(resid 76 and name HD2 ) 4.0 2.2 1.0 !assign (resid 76 and name HG1 )(resid 76 and name HD1 ) 4.0 2.2 1.0 assign (resid 76 and name HG# )(resid 77 and name HN ) 4.0 2.2 2.0 assign (resid 76 and name HG# )(resid 77 and name HD# ) 4.0 2.2 3.0 !assign (resid 76 and name HD2 )(resid 76 and name HD1 ) 4.0 2.2 1.0 !assign (resid 76 and name HD1 )(resid 76 and name HD2 ) 4.0 2.2 1.0 assign (resid 76 and name HD2 )(resid 77 and name HN ) 4.0 2.2 1.0 assign (resid 76 and name HD1 )(resid 77 and name HN ) 4.0 2.2 1.0 !K77 assign (resid 77 and name HN )(resid 77 and name HA ) 3.0 1.2 0.5 assign (resid 77 and name HN )(resid 77 and name HB2 ) 4.0 2.2 1.0 assign (resid 77 and name HN )(resid 77 and name HB1 ) 4.0 2.2 1.0 assign (resid 77 and name HN )(resid 77 and name HG2 ) 4.0 2.2 1.0 assign (resid 77 and name HN )(resid 77 and name HG1 ) 4.0 2.2 1.0 assign (resid 77 and name HN )(resid 77 and name HD# ) 4.0 2.2 2.0 assign (resid 77 and name HN )(resid 78 and name HN ) 3.0 1.2 0.5 assign (resid 77 and name HN )(resid 78 and name HG2# ) 4.0 2.2 2.0 assign (resid 77 and name HN )(resid 79 and name HN ) 4.0 2.2 1.0 !assign (resid 77 and name HA )(resid 77 and name HB# ) 4.0 2.2 2.0 assign (resid 77 and name HA )(resid 77 and name HG2 ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 77 and name HG1 ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 77 and name HD2 ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 77 and name HD1 ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 78 and name HN ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0 assign (resid 77 and name HA )(resid 80 and name HB# ) 4.0 2.2 2.0 !assign (resid 77 and name HB2 )(resid 77 and name HB1 ) 2.5 0.7 0.4 !assign (resid 77 and name HB1 )(resid 77 and name HB2 ) 2.5 0.7 0.4 !assign (resid 77 and name HB2 )(resid 77 and name HG2 ) 4.0 2.2 1.0 !assign (resid 77 and name HB2 )(resid 77 and name HG1 ) 4.0 2.2 1.0 !assign (resid 77 and name HB1 )(resid 77 and name HG2 ) 4.0 2.2 1.0 !assign (resid 77 and name HB1 )(resid 77 and name HG1 ) 4.0 2.2 1.0 assign (resid 77 and name HB# )(resid 77 and name HD2 ) 4.0 2.2 2.0 assign (resid 77 and name HB# )(resid 77 and name HD1 ) 4.0 2.2 2.0 assign (resid 77 and name HB2 )(resid 78 and name HN ) 4.0 2.2 1.0 assign (resid 77 and name HB1 )(resid 78 and name HN ) 4.0 2.2 1.0 assign (resid 77 and name HB# )(resid 78 and name HA ) 4.0 2.2 2.0 assign (resid 77 and name HB# )(resid 78 and name HG2# ) 4.0 2.2 3.0 !assign (resid 77 and name HG2 )(resid 77 and name HG1 ) 4.0 2.2 1.0 !assign (resid 77 and name HG1 )(resid 77 and name HG2 ) 4.0 2.2 1.0 !assign (resid 77 and name HG# )(resid 77 and name HD2 ) 4.0 2.2 2.0 !assign (resid 77 and name HG# )(resid 77 and name HD1 ) 4.0 2.2 2.0 assign (resid 77 and name HG2 )(resid 77 and name HE# ) 4.0 2.2 2.0 assign (resid 77 and name HG1 )(resid 77 and name HE# ) 4.0 2.2 2.0 !assign (resid 77 and name HD# )(resid 77 and name HE# ) 4.0 2.2 3.0 !V78 assign (resid 78 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0 assign (resid 78 and name HN )(resid 78 and name HB ) 3.0 1.2 0.5 assign (resid 78 and name HN )(resid 78 and name HG1# ) 4.0 2.2 2.0 assign (resid 78 and name HN )(resid 78 and name HG2# ) 4.0 2.2 2.0 assign (resid 78 and name HN )(resid 79 and name HN ) 3.0 1.2 0.5 !assign (resid 78 and name HA )(resid 78 and name HB ) 4.0 2.2 1.0 assign (resid 78 and name HA )(resid 78 and name HG1# ) 4.0 2.2 2.0 assign (resid 78 and name HA )(resid 78 and name HG2# ) 4.0 2.2 2.0 assign (resid 78 and name HA )(resid 79 and name HN ) 4.0 2.2 1.0 assign (resid 78 and name HA )(resid 81 and name HN ) 4.0 2.2 1.0 assign (resid 78 and name HA )(resid 81 and name HB ) 4.0 2.2 1.0 assign (resid 78 and name HA )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 78 and name HA )(resid 81 and name HG2# ) 4.0 2.2 2.0 !assign (resid 78 and name HB )(resid 78 and name HG1# ) 4.0 2.2 2.0 !assign (resid 78 and name HB )(resid 78 and name HG2# ) 4.0 2.2 2.0 assign (resid 78 and name HB )(resid 79 and name HN ) 3.0 1.2 0.5 assign (resid 78 and name HG1# )(resid 79 and name HN ) 4.0 2.2 2.0 assign (resid 78 and name HG2# )(resid 79 and name HN ) 4.0 2.2 2.0 assign (resid 78 and name HG1# )(resid 79 and name HA ) 4.0 2.2 2.0 assign (resid 78 and name HG1# )(resid 81 and name HB ) 4.0 2.2 2.0 assign (resid 78 and name HG1# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 78 and name HG1# )(resid 82 and name HE# ) 4.0 2.2 4.0 assign (resid 78 and name HG1# )(resid 82 and name HZ ) 4.0 2.2 2.0 !E79 assign (resid 79 and name HN )(resid 79 and name HA ) 4.0 2.2 1.0 assign (resid 79 and name HN )(resid 79 and name HB# ) 3.0 1.2 1.5 assign (resid 79 and name HN )(resid 79 and name HG# ) 4.0 2.2 2.0 assign (resid 79 and name HN )(resid 80 and name HN ) 3.0 1.2 0.5 assign (resid 79 and name HN )(resid 80 and name HB# ) 4.0 2.2 2.0 !assign (resid 79 and name HA )(resid 79 and name HB# ) 3.0 1.2 1.5 assign (resid 79 and name HA )(resid 79 and name HG2 ) 4.0 2.2 1.0 assign (resid 79 and name HA )(resid 79 and name HG1 ) 4.0 2.2 1.0 assign (resid 79 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0 assign (resid 79 and name HA )(resid 82 and name HN ) 4.0 2.2 1.0 assign (resid 79 and name HA )(resid 82 and name HD# ) 4.0 2.2 3.0 !assign (resid 79 and name HB# )(resid 79 and name HG# ) 4.0 2.2 3.0 assign (resid 79 and name HB# )(resid 80 and name HN ) 3.0 1.2 1.5 !assign (resid 79 and name HG2 )(resid 79 and name HG1 ) 4.0 2.2 1.0 !assign (resid 79 and name HG1 )(resid 79 and name HG2 ) 4.0 2.2 1.0 assign (resid 79 and name HG# )(resid 82 and name HD# ) 4.0 2.2 4.0 assign (resid 79 and name HG# )(resid 83 and name HB2 ) 4.0 2.2 2.0 assign (resid 79 and name HG# )(resid 83 and name HB1 ) 4.0 2.2 2.0 assign (resid 79 and name HG# )(resid 83 and name HG# ) 4.0 2.2 3.0 !A80 assign (resid 80 and name HN )(resid 80 and name HA ) 4.0 2.2 1.0 assign (resid 80 and name HN )(resid 80 and name HB# ) 4.0 2.2 1.6 assign (resid 80 and name HN )(resid 81 and name HN ) 3.0 1.2 0.5 !assign (resid 80 and name HA )(resid 80 and name HB# ) 4.0 2.2 1.2 assign (resid 80 and name HA )(resid 81 and name HN ) 4.0 2.2 1.0 assign (resid 80 and name HA )(resid 83 and name HB2 ) 4.0 2.2 1.0 assign (resid 80 and name HA )(resid 83 and name HB1 ) 4.0 2.2 1.0 assign (resid 80 and name HA )(resid 83 and name HG# ) 4.0 2.2 2.0 assign (resid 80 and name HB# )(resid 81 and name HN ) 4.0 2.2 2.0 assign (resid 80 and name HB# )(resid 81 and name HA ) 4.0 2.2 2.0 assign (resid 80 and name HB# )(resid 83 and name HN ) 4.0 2.2 2.0 !V81 assign (resid 81 and name HN )(resid 81 and name HA ) 3.0 1.2 0.5 assign (resid 81 and name HN )(resid 81 and name HB ) 3.0 1.2 0.5 assign (resid 81 and name HN )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 81 and name HN )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 81 and name HN )(resid 82 and name HN ) 3.0 1.2 0.5 !assign (resid 81 and name HA )(resid 81 and name HB ) 3.0 1.2 0.5 assign (resid 81 and name HA )(resid 81 and name HG1# ) 4.0 2.2 2.0 assign (resid 81 and name HA )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 81 and name HA )(resid 82 and name HN ) 4.0 2.2 1.0 assign (resid 81 and name HA )(resid 84 and name HG ) 4.0 2.2 1.0 assign (resid 81 and name HA )(resid 84 and name HD1# ) 4.0 2.2 2.0 assign (resid 81 and name HA )(resid 84 and name HD2# ) 4.0 2.2 2.0 !assign (resid 81 and name HB )(resid 81 and name HG1# ) 4.0 2.2 2.0 !assign (resid 81 and name HB )(resid 81 and name HG2# ) 4.0 2.2 2.0 assign (resid 81 and name HB )(resid 82 and name HN ) 4.0 2.2 1.0 assign (resid 81 and name HB )(resid 82 and name HD# ) 4.0 2.2 3.0 assign (resid 81 and name HB )(resid 82 and name HE# ) 4.0 2.2 3.0 !assign (resid 81 and name HG1# )(resid 81 and name HG2# ) 4.0 2.2 3.0 assign (resid 81 and name HG1# )(resid 82 and name HN ) 4.0 2.2 2.0 assign (resid 81 and name HG2# )(resid 82 and name HN ) 4.0 2.2 2.0 !F82 assign (resid 82 and name HN )(resid 82 and name HA ) 3.0 1.2 0.5 assign (resid 82 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0 assign (resid 82 and name HN )(resid 82 and name HB1 ) 4.0 2.2 1.0 assign (resid 82 and name HN )(resid 82 and name HD# ) 4.0 2.2 3.0 assign (resid 82 and name HN )(resid 82 and name HZ ) 4.0 2.2 1.0 assign (resid 82 and name HN )(resid 83 and name HN ) 3.0 1.2 0.5 !assign (resid 82 and name HA )(resid 82 and name HB2 ) 4.0 2.2 1.0 !assign (resid 82 and name HA )(resid 82 and name HB1 ) 4.0 2.2 1.0 assign (resid 82 and name HA )(resid 82 and name HD# ) 4.0 2.2 2.0 assign (resid 82 and name HA )(resid 83 and name HN ) 4.0 2.2 1.0 !assign (resid 82 and name HB2 )(resid 82 and name HB1 ) 2.5 0.7 0.4 !assign (resid 82 and name HB1 )(resid 82 and name HB2 ) 2.5 0.7 0.4 assign (resid 82 and name HB2 )(resid 82 and name HD# ) 4.0 2.2 3.0 assign (resid 82 and name HB1 )(resid 82 and name HD# ) 4.0 2.2 3.0 assign (resid 82 and name HB2 )(resid 83 and name HN ) 4.0 2.2 1.0 assign (resid 82 and name HB1 )(resid 83 and name HN ) 4.0 2.2 1.0 !assign (resid 82 and name HD# )(resid 82 and name HE# ) 4.0 2.2 5.0 !assign (resid 82 and name HD# )(resid 82 and name HZ ) 4.0 2.2 3.0 assign (resid 82 and name HD# )(resid 83 and name HN ) 4.0 2.2 3.0 !assign (resid 82 and name HE# )(resid 82 and name HZ ) 4.0 2.2 3.0 !E83 assign (resid 83 and name HN )(resid 83 and name HA ) 4.0 2.2 1.0 assign (resid 83 and name HN )(resid 83 and name HB2 ) 4.0 2.2 1.0 assign (resid 83 and name HN )(resid 83 and name HB1 ) 4.0 2.2 1.0 assign (resid 83 and name HN )(resid 83 and name HG# ) 4.0 2.2 2.0 assign (resid 83 and name HN )(resid 84 and name HN ) 3.0 1.2 0.5 assign (resid 83 and name HN )(resid 84 and name HG ) 4.0 2.2 1.0 assign (resid 83 and name HN )(resid 84 and name HD2# ) 4.0 2.2 2.0 !assign (resid 83 and name HA )(resid 83 and name HB2 ) 4.0 2.2 1.0 !assign (resid 83 and name HA )(resid 83 and name HB1 ) 4.0 2.2 1.0 assign (resid 83 and name HA )(resid 83 and name HG# ) 4.0 2.2 2.0 assign (resid 83 and name HA )(resid 84 and name HN ) 3.0 1.2 0.5 !assign (resid 83 and name HB2 )(resid 83 and name HG# ) 4.0 2.2 2.0 !assign (resid 83 and name HB1 )(resid 83 and name HG# ) 4.0 2.2 2.0 assign (resid 83 and name HB2 )(resid 84 and name HN ) 4.0 2.2 1.0 assign (resid 83 and name HB1 )(resid 84 and name HN ) 4.0 2.2 1.0 assign (resid 83 and name HB# )(resid 84 and name HB# ) 4.0 2.2 3.0 assign (resid 83 and name HG# )(resid 84 and name HN ) 4.0 2.2 2.0 !L84 assign (resid 84 and name HN )(resid 84 and name HA ) 3.0 1.2 0.5 assign (resid 84 and name HN )(resid 84 and name HB2 ) 4.0 2.2 1.0 assign (resid 84 and name HN )(resid 84 and name HB1 ) 4.0 2.2 1.0 assign (resid 84 and name HN )(resid 84 and name HG ) 4.0 2.2 1.0 assign (resid 84 and name HN )(resid 84 and name HD2# ) 4.0 2.2 2.0 assign (resid 84 and name HN )(resid 85 and name HN ) 3.0 1.2 0.5 !assign (resid 84 and name HA )(resid 84 and name HB2 ) 4.0 2.2 1.0 !assign (resid 84 and name HA )(resid 84 and name HB1 ) 4.0 2.2 1.0 assign (resid 84 and name HA )(resid 84 and name HG ) 4.0 2.2 1.0 assign (resid 84 and name HA )(resid 84 and name HD1# ) 4.0 2.2 2.0 assign (resid 84 and name HA )(resid 84 and name HD2# ) 4.0 2.2 2.0 assign (resid 84 and name HA )(resid 85 and name HN ) 3.0 1.2 0.5 !assign (resid 84 and name HB2 )(resid 84 and name HB1 ) 2.5 0.7 0.4 !assign (resid 84 and name HB1 )(resid 84 and name HB2 ) 2.5 0.7 0.4 !assign (resid 84 and name HB2 )(resid 84 and name HG ) 4.0 2.2 1.0 !assign (resid 84 and name HB1 )(resid 84 and name HG ) 4.0 2.2 1.0 assign (resid 84 and name HB2 )(resid 84 and name HD1# ) 4.0 2.2 2.0 assign (resid 84 and name HB2 )(resid 84 and name HD2# ) 4.0 2.2 2.0 assign (resid 84 and name HB1 )(resid 84 and name HD1# ) 4.0 2.2 2.0 assign (resid 84 and name HB1 )(resid 84 and name HD2# ) 4.0 2.2 2.0 assign (resid 84 and name HB2 )(resid 85 and name HN ) 4.0 2.2 1.0 assign (resid 84 and name HB1 )(resid 85 and name HN ) 4.0 2.2 1.0 !assign (resid 84 and name HG )(resid 84 and name HD1# ) 4.0 2.2 2.0 !assign (resid 84 and name HG )(resid 84 and name HD2# ) 4.0 2.2 2.0 !assign (resid 84 and name HD1# )(resid 84 and name HD2# ) 4.0 2.2 3.0 assign (resid 84 and name HD2# )(resid 85 and name HN ) 4.0 2.2 2.0 !E85 assign (resid 85 and name HN )(resid 85 and name HA ) 3.0 1.2 0.5 assign (resid 85 and name HN )(resid 85 and name HB# ) 3.0 1.2 1.5 assign (resid 85 and name HN )(resid 85 and name HG# ) 4.0 2.2 2.0 !assign (resid 85 and name HA )(resid 85 and name HB# ) 3.0 1.2 1.5 assign (resid 85 and name HA )(resid 85 and name HG# ) 4.0 2.2 2.0 assign (resid 85 and name HA )(resid 86 and name HN ) 4.0 2.2 1.0 !assign (resid 85 and name HB# )(resid 85 and name HG# ) 4.0 2.2 3.0 assign (resid 85 and name HB# )(resid 86 and name HN ) 4.0 2.2 2.0 assign (resid 85 and name HG# )(resid 86 and name HN ) 4.0 2.2 2.0 !H86 assign (resid 86 and name HN )(resid 86 and name HA ) 4.0 2.2 1.0 !assign (resid 86 and name HA )(resid 86 and name HB# ) 3.0 1.2 1.5 assign (resid 86 and name HB# )(resid 87 and name HN ) 4.0 2.2 2.0 assign (resid 86 and name HB# )(resid 87 and name HA ) 4.0 2.2 2.0 !H87 assign (resid 87 and name HN )(resid 87 and name HA ) 4.0 2.2 1.0 ---------------------------------- Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 14.835 1.005 -3.780 2 2H MET 1 2HT MET 1 14.224 0.441 -2.299 3 3H MET 1 3HT MET 1 14.671 2.071 -2.472 4 HA MET 1 HA MET 1 12.400 2.211 -2.657 5 1HB MET 1 2HB MET 1 13.658 1.848 -5.380 6 2HB MET 1 3HB MET 1 11.962 2.302 -5.207 7 1HG MET 1 2HG MET 1 12.780 4.183 -3.668 8 2HG MET 1 3HG MET 1 14.399 3.827 -4.270 9 1HE MET 1 1HE MET 1 15.325 4.324 -6.390 10 2HE MET 1 2HE MET 1 15.083 5.883 -5.606 11 3HE MET 1 3HE MET 1 14.745 5.708 -7.327 12 H LYS 2 H LYS 2 12.639 -0.318 -1.726 13 HA LYS 2 HA LYS 2 10.373 -1.634 -2.883 14 1HB LYS 2 2HB LYS 2 11.696 -3.793 -3.342 15 2HB LYS 2 3HB LYS 2 11.824 -2.502 -4.535 16 1HG LYS 2 2HG LYS 2 13.944 -1.756 -3.517 17 2HG LYS 2 3HG LYS 2 13.818 -3.034 -2.309 18 1HD LYS 2 2HD LYS 2 15.310 -3.784 -4.078 19 2HD LYS 2 3HD LYS 2 13.818 -4.720 -4.165 20 1HE LYS 2 2HE LYS 2 13.104 -3.663 -6.104 21 2HE LYS 2 3HE LYS 2 14.018 -2.193 -5.765 22 1HZ LYS 2 1HZ LYS 2 15.898 -4.178 -5.983 23 2HZ LYS 2 1HZ LYS 2 15.549 -2.981 -7.138 24 3HZ LYS 2 3HZ LYS 2 14.798 -4.502 -7.232 25 H ILE 3 H ILE 3 10.276 -0.876 -0.463 26 HA ILE 3 HA ILE 3 10.078 -1.445 1.751 27 HB ILE 3 HB ILE 3 10.147 -4.253 0.617 28 1HG1 ILE 3 2HG1 ILE 3 7.698 -2.630 1.326 29 2HG1 ILE 3 3HG1 ILE 3 8.417 -2.537 -0.281 30 1HG2 ILE 3 1HG2 ILE 3 8.656 -4.609 2.710 31 2HG2 ILE 3 2HG2 ILE 3 10.396 -4.466 2.960 32 3HG2 ILE 3 3HG2 ILE 3 9.342 -3.089 3.285 33 1HD1 ILE 3 1HD1 ILE 3 6.524 -4.333 0.305 34 2HD1 ILE 3 2HD1 ILE 3 7.828 -4.699 -0.824 35 3HD1 ILE 3 3HD1 ILE 3 7.924 -5.258 0.846 36 H ILE 4 H ILE 4 11.915 -0.787 2.763 37 HA ILE 4 HA ILE 4 14.273 -2.559 2.647 38 HB ILE 4 HB ILE 4 14.273 0.206 3.826 39 1HG1 ILE 4 2HG1 ILE 4 13.242 0.399 1.581 40 2HG1 ILE 4 3HG1 ILE 4 14.858 1.100 1.603 41 1HG2 ILE 4 1HG2 ILE 4 16.626 0.127 3.083 42 2HG2 ILE 4 2HG2 ILE 4 16.248 -1.235 4.136 43 3HG2 ILE 4 3HG2 ILE 4 16.355 -1.473 2.392 44 1HD1 ILE 4 1HD1 ILE 4 14.174 -1.687 0.616 45 2HD1 ILE 4 2HD1 ILE 4 14.506 -0.293 -0.410 46 3HD1 ILE 4 3HD1 ILE 4 15.779 -0.956 0.613 47 H SER 5 H SER 5 11.925 -1.143 4.855 48 HA SER 5 HA SER 5 12.484 -3.080 6.863 49 1HB SER 5 2HB SER 5 13.442 -1.659 8.588 50 2HB SER 5 3HB SER 5 14.487 -1.646 7.172 51 HG SER 5 HG SER 5 12.449 0.272 7.458 52 H ILE 6 H ILE 6 10.871 -3.214 8.331 53 HA ILE 6 HA ILE 6 8.628 -1.342 8.029 54 HB ILE 6 HB ILE 6 8.672 -3.901 9.639 55 1HG1 ILE 6 2HG1 ILE 6 9.385 -4.474 7.374 56 2HG1 ILE 6 3HG1 ILE 6 7.715 -4.988 7.599 57 1HG2 ILE 6 1HG2 ILE 6 6.573 -2.046 8.547 58 2HG2 ILE 6 2HG2 ILE 6 6.187 -3.749 8.788 59 3HG2 ILE 6 3HG2 ILE 6 6.701 -2.761 10.154 60 1HD1 ILE 6 1HD1 ILE 6 8.795 -2.726 5.952 61 2HD1 ILE 6 2HD1 ILE 6 7.558 -3.914 5.544 62 3HD1 ILE 6 3HD1 ILE 6 7.174 -2.581 6.633 63 H SER 7 H SER 7 7.381 -1.062 10.241 64 HA SER 7 HA SER 7 9.265 -0.620 12.456 65 1HB SER 7 2HB SER 7 8.894 1.483 10.966 66 2HB SER 7 3HB SER 7 7.307 1.540 11.727 67 HG SER 7 HG SER 7 9.706 1.286 13.208 68 H GLU 8 H GLU 8 8.395 -0.911 14.442 69 HA GLU 8 HA GLU 8 5.828 -2.181 14.621 70 1HB GLU 8 2HB GLU 8 7.281 -1.319 17.075 71 2HB GLU 8 3HB GLU 8 6.473 -2.841 16.721 72 1HG GLU 8 2HG GLU 8 9.188 -1.928 15.743 73 2HG GLU 8 3HG GLU 8 8.824 -3.313 16.769 74 H THR 9 H THR 9 4.029 -1.463 15.735 75 HA THR 9 HA THR 9 3.946 1.282 16.737 76 HB THR 9 HB THR 9 3.362 1.813 14.527 77 HG1 THR 9 HG1 THR 9 0.815 1.030 15.409 78 1HG2 THR 9 1HG2 THR 9 1.604 0.240 13.368 79 2HG2 THR 9 2HG2 THR 9 3.307 -0.221 13.402 80 3HG2 THR 9 3HG2 THR 9 2.176 -0.939 14.547 81 HA PRO 10 HA PRO 10 1.262 -0.359 19.784 82 1HB PRO 10 2HB PRO 10 -0.833 1.584 19.429 83 2HB PRO 10 3HB PRO 10 0.400 1.524 20.697 84 1HG PRO 10 2HG PRO 10 0.283 3.173 18.302 85 2HG PRO 10 3HG PRO 10 1.274 3.362 19.756 86 1HD PRO 10 2HD PRO 10 2.275 2.617 17.301 87 2HD PRO 10 3HD PRO 10 3.047 2.214 18.850 88 H ASN 11 H ASN 11 -0.326 0.711 16.796 89 HA ASN 11 HA ASN 11 -2.366 -1.383 17.076 90 1HB ASN 11 2HB ASN 11 -2.726 1.129 16.320 91 2HB ASN 11 3HB ASN 11 -2.251 0.495 14.747 92 1HD2 ASN 11 2HD2 ASN 11 -4.897 1.450 15.170 93 2HD2 ASN 11 1HD2 ASN 11 -5.967 0.134 15.114 94 H HIS 12 H HIS 12 -2.951 -2.325 14.756 95 HA HIS 12 HA HIS 12 -0.504 -3.049 13.295 96 1HB HIS 12 2HB HIS 12 -1.159 -4.752 15.155 97 2HB HIS 12 3HB HIS 12 -2.470 -5.195 14.063 98 HD1 HIS 12 HD1 HIS 12 -0.617 -7.426 14.396 99 HD2 HIS 12 HD2 HIS 12 0.244 -4.386 11.676 100 HE1 HIS 12 HE1 HIS 12 1.037 -8.392 12.740 101 H ASN 13 H ASN 13 -3.095 -1.474 12.915 102 HA ASN 13 HA ASN 13 -4.413 -2.945 10.766 103 1HB ASN 13 2HB ASN 13 -5.838 -1.670 12.230 104 2HB ASN 13 3HB ASN 13 -4.882 -0.213 11.981 105 1HD2 ASN 13 2HD2 ASN 13 -7.514 -2.095 10.752 106 2HD2 ASN 13 1HD2 ASN 13 -7.796 -1.175 9.354 107 H THR 14 H THR 14 -1.979 -0.512 11.203 108 HA THR 14 HA THR 14 -1.506 -0.475 8.330 109 HB THR 14 HB THR 14 -3.085 1.408 8.719 110 HG1 THR 14 HG1 THR 14 -0.958 1.386 7.354 111 1HG2 THR 14 1HG2 THR 14 -2.699 3.086 10.249 112 2HG2 THR 14 2HG2 THR 14 -1.902 1.762 11.097 113 3HG2 THR 14 3HG2 THR 14 -0.946 2.910 10.160 114 H MET 15 H MET 15 0.596 -0.528 7.904 115 HA MET 15 HA MET 15 2.478 0.246 10.060 116 1HB MET 15 2HB MET 15 4.040 -1.422 8.999 117 2HB MET 15 3HB MET 15 2.607 -2.131 9.743 118 1HG MET 15 2HG MET 15 1.542 -2.436 7.623 119 2HG MET 15 3HG MET 15 2.735 -1.431 6.802 120 1HE MET 15 1HE MET 15 2.224 -5.159 6.130 121 2HE MET 15 2HE MET 15 3.418 -4.422 5.066 122 3HE MET 15 3HE MET 15 1.992 -3.506 5.545 123 H LYS 16 H LYS 16 4.487 1.192 9.402 124 HA LYS 16 HA LYS 16 4.197 2.787 6.959 125 1HB LYS 16 2HB LYS 16 5.730 4.310 7.892 126 2HB LYS 16 3HB LYS 16 4.752 3.782 9.261 127 1HG LYS 16 2HG LYS 16 6.592 1.970 9.592 128 2HG LYS 16 3HG LYS 16 7.578 3.002 8.555 129 1HD LYS 16 2HD LYS 16 6.286 3.769 11.190 130 2HD LYS 16 3HD LYS 16 8.011 3.622 10.856 131 1HE LYS 16 2HE LYS 16 7.742 5.917 10.643 132 2HE LYS 16 3HE LYS 16 7.474 5.411 8.975 133 1HZ LYS 16 1HZ LYS 16 5.081 5.264 10.507 134 2HZ LYS 16 1HZ LYS 16 5.385 6.107 9.064 135 3HZ LYS 16 3HZ LYS 16 5.737 6.827 10.562 136 H ILE 17 H ILE 17 5.469 2.588 5.215 137 HA ILE 17 HA ILE 17 7.430 0.396 5.206 138 HB ILE 17 HB ILE 17 6.272 1.937 2.868 139 1HG1 ILE 17 2HG1 ILE 17 5.521 -0.843 3.813 140 2HG1 ILE 17 3HG1 ILE 17 4.620 0.595 4.291 141 1HG2 ILE 17 1HG2 ILE 17 7.138 0.038 1.557 142 2HG2 ILE 17 2HG2 ILE 17 8.445 0.826 2.439 143 3HG2 ILE 17 3HG2 ILE 17 7.777 -0.696 3.027 144 1HD1 ILE 17 1HD1 ILE 17 5.184 0.103 1.380 145 2HD1 ILE 17 2HD1 ILE 17 3.860 -0.753 2.169 146 3HD1 ILE 17 3HD1 ILE 17 3.865 1.010 2.120 147 H THR 18 H THR 18 9.526 0.830 5.303 148 HA THR 18 HA THR 18 10.473 3.572 5.050 149 HB THR 18 HB THR 18 11.986 1.023 5.676 150 HG1 THR 18 HG1 THR 18 11.849 1.853 7.810 151 1HG2 THR 18 1HG2 THR 18 12.728 3.951 5.724 152 2HG2 THR 18 2HG2 THR 18 13.614 2.743 6.655 153 3HG2 THR 18 3HG2 THR 18 13.555 2.631 4.896 154 H LEU 19 H LEU 19 11.490 4.397 3.323 155 HA LEU 19 HA LEU 19 11.960 2.619 1.022 156 1HB LEU 19 2HB LEU 19 11.985 5.638 0.995 157 2HB LEU 19 3HB LEU 19 11.759 4.535 -0.363 158 HG LEU 19 HG LEU 19 9.836 4.844 1.966 159 1HD1 LEU 19 1HD1 LEU 19 8.382 5.990 0.398 160 2HD1 LEU 19 2HD1 LEU 19 9.944 6.808 0.406 161 3HD1 LEU 19 3HD1 LEU 19 9.524 5.723 -0.919 162 1HD2 LEU 19 1HD2 LEU 19 9.787 3.185 -0.571 163 2HD2 LEU 19 2HD2 LEU 19 9.681 2.610 1.093 164 3HD2 LEU 19 3HD2 LEU 19 8.341 3.511 0.385 165 H SER 20 H SER 20 13.882 3.070 -0.316 166 HA SER 20 HA SER 20 16.260 3.024 1.239 167 1HB SER 20 2HB SER 20 17.412 2.798 -0.852 168 2HB SER 20 3HB SER 20 15.912 1.886 -0.990 169 HG SER 20 HG SER 20 16.001 3.123 -2.793 170 H GLU 21 H GLU 21 14.304 5.553 0.350 171 HA GLU 21 HA GLU 21 16.453 7.486 -0.028 172 1HB GLU 21 2HB GLU 21 13.446 7.661 -0.160 173 2HB GLU 21 3HB GLU 21 14.471 9.095 -0.207 174 1HG GLU 21 2HG GLU 21 14.991 6.781 -2.067 175 2HG GLU 21 3HG GLU 21 13.779 7.997 -2.466 176 H SER 22 H SER 22 16.334 9.543 1.241 177 HA SER 22 HA SER 22 15.200 9.327 3.919 178 1HB SER 22 2HB SER 22 17.344 9.711 5.038 179 2HB SER 22 3HB SER 22 17.395 8.209 4.120 180 HG SER 22 HG SER 22 18.658 10.659 3.657 181 H ARG 23 H ARG 23 15.774 11.374 5.200 182 HA ARG 23 HA ARG 23 15.338 13.640 5.339 183 1HB ARG 23 2HB ARG 23 17.471 13.720 3.190 184 2HB ARG 23 3HB ARG 23 17.057 15.015 4.311 185 1HG ARG 23 2HG ARG 23 17.894 12.316 5.357 186 2HG ARG 23 3HG ARG 23 19.106 13.495 4.859 187 1HD ARG 23 2HD ARG 23 17.850 15.164 6.365 188 2HD ARG 23 3HD ARG 23 17.036 13.755 7.041 189 HE ARG 23 HE ARG 23 19.913 13.506 7.008 190 1HH1 ARG 23 1HH1 ARG 23 17.493 15.352 8.596 191 2HH1 ARG 23 2HH1 ARG 23 18.114 15.074 10.189 192 1HH2 ARG 23 1HH2 ARG 23 20.582 12.881 9.134 193 2HH2 ARG 23 2HH2 ARG 23 19.861 13.676 10.493 194 H GLU 24 H GLU 24 15.647 15.641 3.345 195 HA GLU 24 HA GLU 24 14.079 16.788 2.055 196 1HB GLU 24 2HB GLU 24 14.962 14.461 0.335 197 2HB GLU 24 3HB GLU 24 14.149 15.901 -0.280 198 1HG GLU 24 2HG GLU 24 15.982 17.295 0.702 199 2HG GLU 24 3HG GLU 24 16.814 15.812 1.164 200 H GLY 25 H GLY 25 13.212 13.893 0.373 201 1HA GLY 25 1HA GLY 25 11.200 12.580 1.272 202 2HA GLY 25 2HA GLY 25 10.433 14.166 1.337 203 H MET 26 H MET 26 10.040 11.614 -0.324 204 HA MET 26 HA MET 26 10.434 12.630 -3.035 205 1HB MET 26 2HB MET 26 9.207 10.022 -2.097 206 2HB MET 26 3HB MET 26 9.668 10.427 -3.751 207 1HG MET 26 2HG MET 26 11.915 10.170 -3.335 208 2HG MET 26 3HG MET 26 11.776 10.709 -1.661 209 1HE MET 26 1HE MET 26 9.752 7.249 -3.341 210 2HE MET 26 2HE MET 26 11.424 6.832 -3.710 211 3HE MET 26 3HE MET 26 10.777 8.388 -4.224 212 H THR 27 H THR 27 7.781 10.744 -3.224 213 HA THR 27 HA THR 27 6.032 12.957 -3.777 214 HB THR 27 HB THR 27 4.348 11.066 -4.146 215 HG1 THR 27 HG1 THR 27 6.313 9.746 -2.925 216 1HG2 THR 27 1HG2 THR 27 5.429 11.965 -6.060 217 2HG2 THR 27 2HG2 THR 27 6.980 11.253 -5.614 218 3HG2 THR 27 3HG2 THR 27 5.665 10.222 -6.179 219 H SER 28 H SER 28 3.819 13.075 -2.851 220 HA SER 28 HA SER 28 3.396 11.966 -0.215 221 1HB SER 28 2HB SER 28 3.191 14.190 0.888 222 2HB SER 28 3HB SER 28 4.839 13.819 0.390 223 HG SER 28 HG SER 28 3.059 15.725 -0.548 224 H ASP 29 H ASP 29 1.431 11.191 -0.771 225 HA ASP 29 HA ASP 29 -0.762 13.041 -1.006 226 1HB ASP 29 2HB ASP 29 0.259 11.555 -3.384 227 2HB ASP 29 3HB ASP 29 -1.486 11.675 -3.175 228 H THR 30 H THR 30 -2.846 11.945 -0.982 229 HA THR 30 HA THR 30 -2.667 9.325 0.361 230 HB THR 30 HB THR 30 -5.073 11.148 0.280 231 HG1 THR 30 HG1 THR 30 -3.820 11.283 2.596 232 1HG2 THR 30 1HG2 THR 30 -4.226 9.172 2.400 233 2HG2 THR 30 2HG2 THR 30 -5.821 9.875 2.138 234 3HG2 THR 30 3HG2 THR 30 -5.186 8.683 1.005 235 H TYR 31 H TYR 31 -3.603 7.542 -0.494 236 HA TYR 31 HA TYR 31 -5.159 7.875 -2.993 237 1HB TYR 31 2HB TYR 31 -3.532 5.423 -2.336 238 2HB TYR 31 3HB TYR 31 -4.148 5.948 -3.902 239 HD1 TYR 31 HD1 TYR 31 -1.196 5.482 -2.371 240 HD2 TYR 31 HD2 TYR 31 -3.401 8.721 -4.134 241 HE1 TYR 31 HE1 TYR 31 0.924 6.697 -2.794 242 HE2 TYR 31 HE2 TYR 31 -1.282 9.934 -4.554 243 HH TYR 31 HH TYR 31 1.665 8.543 -4.540 244 H THR 32 H THR 32 -7.223 7.597 -2.432 245 HA THR 32 HA THR 32 -7.924 5.229 -0.799 246 HB THR 32 HB THR 32 -8.562 6.897 0.656 247 HG1 THR 32 HG1 THR 32 -10.556 6.302 0.550 248 1HG2 THR 32 1HG2 THR 32 -9.575 9.100 -0.287 249 2HG2 THR 32 2HG2 THR 32 -7.835 8.849 -0.428 250 3HG2 THR 32 3HG2 THR 32 -8.881 8.578 -1.822 251 H LYS 33 H LYS 33 -8.055 6.573 -3.818 252 HA LYS 33 HA LYS 33 -10.163 4.748 -4.654 253 1HB LYS 33 2HB LYS 33 -11.302 6.635 -5.947 254 2HB LYS 33 3HB LYS 33 -11.565 6.619 -4.203 255 1HG LYS 33 2HG LYS 33 -10.182 8.457 -3.836 256 2HG LYS 33 3HG LYS 33 -9.246 8.177 -5.304 257 1HD LYS 33 2HD LYS 33 -11.054 8.968 -6.695 258 2HD LYS 33 3HD LYS 33 -12.149 9.048 -5.314 259 1HE LYS 33 2HE LYS 33 -10.774 10.801 -4.291 260 2HE LYS 33 3HE LYS 33 -9.617 10.693 -5.617 261 1HZ LYS 33 1HZ LYS 33 -11.065 11.658 -7.085 262 2HZ LYS 33 1HZ LYS 33 -11.481 12.477 -5.655 263 3HZ LYS 33 3HZ LYS 33 -12.447 11.198 -6.216 264 H VAL 34 H VAL 34 -7.315 4.935 -5.081 265 HA VAL 34 HA VAL 34 -5.732 4.863 -6.743 266 HB VAL 34 HB VAL 34 -8.115 4.260 -8.506 267 1HG1 VAL 34 1HG1 VAL 34 -5.151 3.904 -8.706 268 2HG1 VAL 34 2HG1 VAL 34 -6.178 2.643 -9.388 269 3HG1 VAL 34 3HG1 VAL 34 -6.319 4.303 -9.966 270 1HG2 VAL 34 1HG2 VAL 34 -6.482 2.337 -6.823 271 2HG2 VAL 34 2HG2 VAL 34 -8.090 2.911 -6.386 272 3HG2 VAL 34 3HG2 VAL 34 -7.867 1.935 -7.837 273 H ASP 35 H ASP 35 -5.309 5.683 -9.145 274 HA ASP 35 HA ASP 35 -5.004 7.485 -10.527 275 1HB ASP 35 2HB ASP 35 -7.530 7.200 -10.732 276 2HB ASP 35 3HB ASP 35 -7.674 8.510 -9.562 277 H ASP 36 H ASP 36 -3.406 8.745 -9.850 278 HA ASP 36 HA ASP 36 -3.762 11.227 -8.653 279 1HB ASP 36 2HB ASP 36 -3.615 9.025 -6.728 280 2HB ASP 36 3HB ASP 36 -2.345 10.214 -6.474 281 H SER 37 H SER 37 -2.217 9.450 -10.564 282 HA SER 37 HA SER 37 -0.205 9.643 -11.649 283 1HB SER 37 2HB SER 37 1.061 11.525 -11.362 284 2HB SER 37 3HB SER 37 -0.374 12.054 -10.493 285 HG SER 37 HG SER 37 2.103 11.150 -9.522 286 H GLN 38 H GLN 38 -0.820 7.917 -9.178 287 HA GLN 38 HA GLN 38 1.831 7.377 -8.108 288 1HB GLN 38 2HB GLN 38 -0.239 5.361 -7.589 289 2HB GLN 38 3HB GLN 38 0.763 6.262 -6.456 290 1HG GLN 38 2HG GLN 38 -1.283 7.167 -5.924 291 2HG GLN 38 3HG GLN 38 -0.836 8.269 -7.223 292 1HE2 GLN 38 2HE2 GLN 38 -3.157 5.904 -6.221 293 2HE2 GLN 38 1HE2 GLN 38 -4.037 5.845 -7.672 294 HA PRO 39 HA PRO 39 2.896 4.085 -10.823 295 1HB PRO 39 2HB PRO 39 3.519 2.096 -8.829 296 2HB PRO 39 3HB PRO 39 4.636 3.148 -9.710 297 1HG PRO 39 2HG PRO 39 4.059 3.289 -7.003 298 2HG PRO 39 3HG PRO 39 4.839 4.549 -7.969 299 1HD PRO 39 2HD PRO 39 2.045 4.413 -6.970 300 2HD PRO 39 3HD PRO 39 3.035 5.830 -7.379 301 H ALA 40 H ALA 40 1.698 2.685 -12.013 302 HA ALA 40 HA ALA 40 -0.836 1.813 -11.400 303 1HB ALA 40 1HB ALA 40 -0.358 -0.059 -13.093 304 2HB ALA 40 2HB ALA 40 -0.153 1.601 -13.652 305 3HB ALA 40 3HB ALA 40 1.258 0.635 -13.221 306 H PHE 41 H PHE 41 2.237 0.263 -10.666 307 HA PHE 41 HA PHE 41 1.368 -2.239 -9.812 308 1HB PHE 41 2HB PHE 41 3.553 -0.729 -8.392 309 2HB PHE 41 3HB PHE 41 3.446 -2.456 -8.729 310 HD1 PHE 41 HD1 PHE 41 5.239 0.306 -9.616 311 HD2 PHE 41 HD2 PHE 41 2.911 -2.791 -11.475 312 HE1 PHE 41 HE1 PHE 41 6.482 0.641 -11.735 313 HE2 PHE 41 HE2 PHE 41 4.155 -2.453 -13.592 314 HZ PHE 41 HZ PHE 41 5.940 -0.738 -13.722 315 H ILE 42 H ILE 42 1.257 0.875 -8.173 316 HA ILE 42 HA ILE 42 0.512 -0.229 -5.614 317 HB ILE 42 HB ILE 42 0.696 2.541 -6.763 318 1HG1 ILE 42 2HG1 ILE 42 2.619 1.123 -5.718 319 2HG1 ILE 42 3HG1 ILE 42 2.439 2.798 -5.202 320 1HG2 ILE 42 1HG2 ILE 42 -0.726 1.700 -4.232 321 2HG2 ILE 42 2HG2 ILE 42 -0.020 3.306 -4.410 322 3HG2 ILE 42 3HG2 ILE 42 -1.301 2.780 -5.501 323 1HD1 ILE 42 1HD1 ILE 42 0.920 0.743 -3.668 324 2HD1 ILE 42 2HD1 ILE 42 2.668 0.785 -3.443 325 3HD1 ILE 42 3HD1 ILE 42 1.700 2.219 -3.102 326 H ASN 43 H ASN 43 -1.154 0.705 -8.521 327 HA ASN 43 HA ASN 43 -3.715 1.215 -7.450 328 1HB ASN 43 2HB ASN 43 -2.912 0.016 -10.116 329 2HB ASN 43 3HB ASN 43 -4.538 0.538 -9.706 330 1HD2 ASN 43 2HD2 ASN 43 -1.899 2.432 -8.393 331 2HD2 ASN 43 1HD2 ASN 43 -2.070 3.749 -9.448 332 H ASP 44 H ASP 44 -1.941 -1.698 -8.256 333 HA ASP 44 HA ASP 44 -3.996 -3.602 -8.024 334 1HB ASP 44 2HB ASP 44 -1.479 -3.839 -8.745 335 2HB ASP 44 3HB ASP 44 -1.219 -4.167 -7.033 336 H ILE 45 H ILE 45 -1.682 -2.394 -5.604 337 HA ILE 45 HA ILE 45 -2.502 -3.804 -3.373 338 HB ILE 45 HB ILE 45 -1.522 -0.946 -3.583 339 1HG1 ILE 45 2HG1 ILE 45 -0.127 -3.567 -2.940 340 2HG1 ILE 45 3HG1 ILE 45 0.019 -2.668 -4.450 341 1HG2 ILE 45 1HG2 ILE 45 -2.651 -1.257 -1.437 342 2HG2 ILE 45 2HG2 ILE 45 -1.773 -2.762 -1.165 343 3HG2 ILE 45 3HG2 ILE 45 -0.907 -1.226 -1.184 344 1HD1 ILE 45 1HD1 ILE 45 1.639 -1.391 -3.555 345 2HD1 ILE 45 2HD1 ILE 45 0.546 -0.877 -2.270 346 3HD1 ILE 45 3HD1 ILE 45 1.532 -2.324 -2.063 347 H LEU 46 H LEU 46 -3.750 -0.660 -4.508 348 HA LEU 46 HA LEU 46 -5.704 -0.358 -2.491 349 1HB LEU 46 2HB LEU 46 -5.652 0.734 -5.317 350 2HB LEU 46 3HB LEU 46 -6.734 1.285 -4.038 351 HG LEU 46 HG LEU 46 -3.705 1.344 -3.862 352 1HD1 LEU 46 1HD1 LEU 46 -3.840 3.707 -4.286 353 2HD1 LEU 46 2HD1 LEU 46 -4.735 2.906 -5.576 354 3HD1 LEU 46 3HD1 LEU 46 -5.603 3.674 -4.247 355 1HD2 LEU 46 1HD2 LEU 46 -5.967 2.159 -2.049 356 2HD2 LEU 46 2HD2 LEU 46 -4.481 1.298 -1.652 357 3HD2 LEU 46 3HD2 LEU 46 -4.436 3.031 -1.978 358 H LYS 47 H LYS 47 -5.763 -1.943 -5.643 359 HA LYS 47 HA LYS 47 -8.597 -2.542 -5.466 360 1HB LYS 47 2HB LYS 47 -6.430 -3.240 -7.446 361 2HB LYS 47 3HB LYS 47 -8.062 -3.900 -7.564 362 1HG LYS 47 2HG LYS 47 -8.982 -1.601 -7.601 363 2HG LYS 47 3HG LYS 47 -7.344 -0.952 -7.518 364 1HD LYS 47 2HD LYS 47 -6.780 -1.841 -9.665 365 2HD LYS 47 3HD LYS 47 -8.234 -2.840 -9.710 366 1HE LYS 47 2HE LYS 47 -9.651 -0.962 -10.019 367 2HE LYS 47 3HE LYS 47 -8.394 0.171 -9.527 368 1HZ LYS 47 1HZ LYS 47 -8.471 0.302 -11.843 369 2HZ LYS 47 1HZ LYS 47 -8.581 -1.383 -12.035 370 3HZ LYS 47 3HZ LYS 47 -7.123 -0.677 -11.525 371 H VAL 48 H VAL 48 -5.778 -3.885 -4.189 372 HA VAL 48 HA VAL 48 -6.541 -6.661 -4.327 373 HB VAL 48 HB VAL 48 -4.430 -5.151 -2.783 374 1HG1 VAL 48 1HG1 VAL 48 -4.887 -6.838 -1.230 375 2HG1 VAL 48 2HG1 VAL 48 -5.382 -7.987 -2.473 376 3HG1 VAL 48 3HG1 VAL 48 -3.674 -7.609 -2.251 377 1HG2 VAL 48 1HG2 VAL 48 -3.072 -5.780 -4.484 378 2HG2 VAL 48 2HG2 VAL 48 -3.676 -7.435 -4.449 379 3HG2 VAL 48 3HG2 VAL 48 -4.541 -6.201 -5.364 380 H GLU 49 H GLU 49 -8.161 -7.495 -3.223 381 HA GLU 49 HA GLU 49 -9.689 -6.253 -1.277 382 1HB GLU 49 2HB GLU 49 -9.314 -9.233 -1.220 383 2HB GLU 49 3HB GLU 49 -10.789 -8.291 -0.998 384 1HG GLU 49 2HG GLU 49 -10.526 -7.567 -3.439 385 2HG GLU 49 3HG GLU 49 -9.299 -8.825 -3.576 386 H GLY 50 H GLY 50 -9.558 -5.963 0.872 387 1HA GLY 50 1HA GLY 50 -8.868 -6.798 3.071 388 2HA GLY 50 2HA GLY 50 -7.339 -7.273 2.335 389 H VAL 51 H VAL 51 -7.203 -4.813 0.723 390 HA VAL 51 HA VAL 51 -5.897 -3.137 2.683 391 HB VAL 51 HB VAL 51 -6.256 -2.960 -0.313 392 1HG1 VAL 51 1HG1 VAL 51 -5.130 -0.964 1.645 393 2HG1 VAL 51 2HG1 VAL 51 -4.470 -1.076 0.013 394 3HG1 VAL 51 3HG1 VAL 51 -6.172 -0.681 0.250 395 1HG2 VAL 51 1HG2 VAL 51 -3.644 -3.063 1.157 396 2HG2 VAL 51 2HG2 VAL 51 -4.591 -4.544 1.025 397 3HG2 VAL 51 3HG2 VAL 51 -4.057 -3.705 -0.431 398 H LYS 52 H LYS 52 -6.478 -1.069 3.296 399 HA LYS 52 HA LYS 52 -9.304 -0.371 2.829 400 1HB LYS 52 2HB LYS 52 -8.356 -0.690 5.192 401 2HB LYS 52 3HB LYS 52 -7.490 0.823 4.924 402 1HG LYS 52 2HG LYS 52 -9.793 1.791 4.242 403 2HG LYS 52 3HG LYS 52 -10.471 0.362 5.021 404 1HD LYS 52 2HD LYS 52 -8.861 1.071 7.002 405 2HD LYS 52 3HD LYS 52 -8.974 2.657 6.241 406 1HE LYS 52 2HE LYS 52 -11.164 0.994 7.467 407 2HE LYS 52 3HE LYS 52 -10.764 2.685 7.762 408 1HZ LYS 52 1HZ LYS 52 -12.350 3.160 6.304 409 2HZ LYS 52 1HZ LYS 52 -12.488 1.546 5.793 410 3HZ LYS 52 3HZ LYS 52 -11.326 2.566 5.090 411 H SER 53 H SER 53 -6.096 1.175 3.122 412 HA SER 53 HA SER 53 -6.492 2.808 0.816 413 1HB SER 53 2HB SER 53 -6.396 5.001 2.178 414 2HB SER 53 3HB SER 53 -7.948 4.178 2.059 415 HG SER 53 HG SER 53 -7.702 4.545 4.189 416 H ILE 54 H ILE 54 -4.765 4.698 0.903 417 HA ILE 54 HA ILE 54 -2.332 3.791 2.296 418 HB ILE 54 HB ILE 54 -2.563 4.330 -0.677 419 1HG1 ILE 54 2HG1 ILE 54 -1.638 1.878 0.862 420 2HG1 ILE 54 3HG1 ILE 54 -3.226 2.051 0.116 421 1HG2 ILE 54 1HG2 ILE 54 -0.511 5.341 0.068 422 2HG2 ILE 54 2HG2 ILE 54 -0.150 3.975 1.123 423 3HG2 ILE 54 3HG2 ILE 54 -0.079 3.781 -0.629 424 1HD1 ILE 54 1HD1 ILE 54 -1.747 2.653 -2.026 425 2HD1 ILE 54 2HD1 ILE 54 -0.558 1.668 -1.174 426 3HD1 ILE 54 3HD1 ILE 54 -2.123 0.982 -1.608 427 H PHE 55 H PHE 55 -0.778 5.416 2.613 428 HA PHE 55 HA PHE 55 -1.558 8.170 1.918 429 1HB PHE 55 2HB PHE 55 -2.419 7.947 4.131 430 2HB PHE 55 3HB PHE 55 -0.985 7.085 4.680 431 HD1 PHE 55 HD1 PHE 55 -1.577 10.292 2.794 432 HD2 PHE 55 HD2 PHE 55 0.290 8.358 6.148 433 HE1 PHE 55 HE1 PHE 55 -0.538 12.443 3.459 434 HE2 PHE 55 HE2 PHE 55 1.327 10.509 6.809 435 HZ PHE 55 HZ PHE 55 0.913 12.551 5.466 436 H HIS 56 H HIS 56 0.099 8.758 0.652 437 HA HIS 56 HA HIS 56 2.827 7.901 1.311 438 1HB HIS 56 2HB HIS 56 1.680 7.911 -1.062 439 2HB HIS 56 3HB HIS 56 2.141 9.609 -1.056 440 HD1 HIS 56 HD1 HIS 56 3.390 6.734 -2.435 441 HD2 HIS 56 HD2 HIS 56 5.137 9.501 0.146 442 HE1 HIS 56 HE1 HIS 56 5.895 6.487 -2.709 443 H VAL 57 H VAL 57 4.312 9.222 2.182 444 HA VAL 57 HA VAL 57 4.250 12.074 1.896 445 HB VAL 57 HB VAL 57 2.478 11.429 3.711 446 1HG1 VAL 57 1HG1 VAL 57 4.272 9.940 4.848 447 2HG1 VAL 57 2HG1 VAL 57 4.925 11.455 5.471 448 3HG1 VAL 57 3HG1 VAL 57 3.280 10.970 5.879 449 1HG2 VAL 57 1HG2 VAL 57 4.626 13.537 3.883 450 2HG2 VAL 57 2HG2 VAL 57 2.932 13.718 3.431 451 3HG2 VAL 57 3HG2 VAL 57 3.369 13.443 5.116 452 H MET 58 H MET 58 6.099 13.101 2.895 453 HA MET 58 HA MET 58 8.395 13.147 3.152 454 1HB MET 58 2HB MET 58 7.253 12.487 5.454 455 2HB MET 58 3HB MET 58 8.118 10.974 5.192 456 1HG MET 58 2HG MET 58 10.169 12.528 4.700 457 2HG MET 58 3HG MET 58 9.230 13.746 5.563 458 1HE MET 58 1HE MET 58 9.199 14.105 7.809 459 2HE MET 58 2HE MET 58 9.286 12.927 9.116 460 3HE MET 58 3HE MET 58 7.923 12.894 8.001 461 H ASP 59 H ASP 59 9.718 10.599 4.326 462 HA ASP 59 HA ASP 59 10.196 9.336 1.705 463 1HB ASP 59 2HB ASP 59 12.281 8.459 2.855 464 2HB ASP 59 3HB ASP 59 12.217 10.203 2.620 465 H PHE 60 H PHE 60 7.849 8.611 3.145 466 HA PHE 60 HA PHE 60 8.286 5.755 3.311 467 1HB PHE 60 2HB PHE 60 7.532 5.431 5.574 468 2HB PHE 60 3HB PHE 60 8.877 6.569 5.612 469 HD1 PHE 60 HD1 PHE 60 5.188 6.239 5.838 470 HD2 PHE 60 HD2 PHE 60 8.560 8.869 6.275 471 HE1 PHE 60 HE1 PHE 60 3.743 7.904 6.970 472 HE2 PHE 60 HE2 PHE 60 7.112 10.532 7.408 473 HZ PHE 60 HZ PHE 60 4.705 10.050 7.756 474 H ILE 61 H ILE 61 6.167 4.613 3.875 475 HA ILE 61 HA ILE 61 3.815 6.175 3.018 476 HB ILE 61 HB ILE 61 4.541 3.471 1.864 477 1HG1 ILE 61 2HG1 ILE 61 4.598 6.202 0.535 478 2HG1 ILE 61 3HG1 ILE 61 6.033 5.328 1.071 479 1HG2 ILE 61 1HG2 ILE 61 2.136 3.848 1.987 480 2HG2 ILE 61 2HG2 ILE 61 2.317 5.454 1.282 481 3HG2 ILE 61 3HG2 ILE 61 2.653 4.021 0.311 482 1HD1 ILE 61 1HD1 ILE 61 4.186 4.723 -1.204 483 2HD1 ILE 61 2HD1 ILE 61 5.946 4.635 -1.136 484 3HD1 ILE 61 3HD1 ILE 61 4.971 3.374 -0.383 485 H SER 62 H SER 62 2.020 5.717 4.138 486 HA SER 62 HA SER 62 2.133 3.512 6.091 487 1HB SER 62 2HB SER 62 0.493 6.041 5.948 488 2HB SER 62 3HB SER 62 0.140 4.745 7.087 489 HG SER 62 HG SER 62 2.382 4.961 7.755 490 H VAL 63 H VAL 63 1.239 1.689 5.375 491 HA VAL 63 HA VAL 63 -1.105 1.834 3.590 492 HB VAL 63 HB VAL 63 0.724 -0.505 4.201 493 1HG1 VAL 63 1HG1 VAL 63 -0.434 -1.506 2.216 494 2HG1 VAL 63 2HG1 VAL 63 -1.515 -1.251 3.585 495 3HG1 VAL 63 3HG1 VAL 63 -1.546 -0.137 2.218 496 1HG2 VAL 63 1HG2 VAL 63 1.691 -0.102 2.025 497 2HG2 VAL 63 2HG2 VAL 63 0.503 1.151 1.668 498 3HG2 VAL 63 3HG2 VAL 63 1.734 1.428 2.901 499 H ASP 64 H ASP 64 -3.010 1.620 4.527 500 HA ASP 64 HA ASP 64 -3.216 0.124 7.062 501 1HB ASP 64 2HB ASP 64 -5.427 1.847 6.025 502 2HB ASP 64 3HB ASP 64 -4.983 1.484 7.684 503 H LYS 65 H LYS 65 -4.649 -1.539 7.302 504 HA LYS 65 HA LYS 65 -6.117 -2.399 4.874 505 1HB LYS 65 2HB LYS 65 -5.711 -4.729 5.591 506 2HB LYS 65 3HB LYS 65 -4.199 -3.874 5.291 507 1HG LYS 65 2HG LYS 65 -3.740 -3.631 7.601 508 2HG LYS 65 3HG LYS 65 -5.405 -3.990 8.058 509 1HD LYS 65 2HD LYS 65 -4.916 -6.302 6.884 510 2HD LYS 65 3HD LYS 65 -3.233 -5.872 7.187 511 1HE LYS 65 2HE LYS 65 -3.893 -7.088 9.117 512 2HE LYS 65 3HE LYS 65 -3.975 -5.396 9.611 513 1HZ LYS 65 1HZ LYS 65 -6.180 -5.491 9.832 514 2HZ LYS 65 1HZ LYS 65 -5.984 -7.179 9.848 515 3HZ LYS 65 3HZ LYS 65 -6.396 -6.382 8.405 516 H GLU 66 H GLU 66 -7.622 -4.401 5.863 517 HA GLU 66 HA GLU 66 -9.400 -2.989 7.732 518 1HB GLU 66 2HB GLU 66 -9.947 -5.497 6.124 519 2HB GLU 66 3HB GLU 66 -11.126 -4.512 6.989 520 1HG GLU 66 2HG GLU 66 -10.277 -2.565 5.492 521 2HG GLU 66 3HG GLU 66 -9.597 -3.839 4.480 522 H ASN 67 H ASN 67 -9.697 -3.671 9.781 523 HA ASN 67 HA ASN 67 -7.977 -5.403 11.082 524 1HB ASN 67 2HB ASN 67 -9.577 -5.407 12.927 525 2HB ASN 67 3HB ASN 67 -9.457 -3.792 12.232 526 1HD2 ASN 67 2HD2 ASN 67 -11.524 -6.709 12.311 527 2HD2 ASN 67 1HD2 ASN 67 -12.939 -5.911 11.819 528 H ASP 68 H ASP 68 -10.816 -6.130 9.218 529 HA ASP 68 HA ASP 68 -11.251 -8.779 10.201 530 1HB ASP 68 2HB ASP 68 -12.873 -7.248 8.894 531 2HB ASP 68 3HB ASP 68 -12.027 -7.816 7.454 532 H ALA 69 H ALA 69 -9.283 -7.361 7.660 533 HA ALA 69 HA ALA 69 -8.534 -9.953 6.561 534 1HB ALA 69 1HB ALA 69 -8.831 -7.976 5.091 535 2HB ALA 69 2HB ALA 69 -7.487 -7.186 5.916 536 3HB ALA 69 3HB ALA 69 -7.207 -8.654 4.979 537 H ASN 70 H ASN 70 -5.937 -9.802 5.998 538 HA ASN 70 HA ASN 70 -4.511 -9.360 8.548 539 1HB ASN 70 2HB ASN 70 -3.906 -11.759 6.841 540 2HB ASN 70 3HB ASN 70 -3.536 -11.486 8.540 541 1HD2 ASN 70 2HD2 ASN 70 -4.805 -12.793 9.848 542 2HD2 ASN 70 1HD2 ASN 70 -6.417 -13.221 9.534 543 H TRP 71 H TRP 71 -2.025 -9.994 7.953 544 HA TRP 71 HA TRP 71 -1.333 -8.172 5.748 545 1HB TRP 71 2HB TRP 71 0.080 -9.101 8.229 546 2HB TRP 71 3HB TRP 71 1.015 -8.481 6.869 547 HD1 TRP 71 HD1 TRP 71 -0.412 -7.291 9.920 548 HE1 TRP 71 HE1 TRP 71 -0.923 -4.766 9.848 549 HE3 TRP 71 HE3 TRP 71 -0.153 -6.483 4.884 550 HZ2 TRP 71 HZ2 TRP 71 -1.183 -2.680 7.911 551 HZ3 TRP 71 HZ3 TRP 71 -0.537 -4.218 3.954 552 HH2 TRP 71 HH2 TRP 71 -1.052 -2.319 5.460 553 H GLU 72 H GLU 72 -0.505 -11.357 7.071 554 HA GLU 72 HA GLU 72 1.335 -12.211 5.175 555 1HB GLU 72 2HB GLU 72 -0.705 -14.136 6.239 556 2HB GLU 72 3HB GLU 72 1.027 -14.360 6.010 557 1HG GLU 72 2HG GLU 72 0.954 -14.102 8.311 558 2HG GLU 72 3HG GLU 72 1.185 -12.426 7.820 559 H THR 73 H THR 73 -2.063 -11.724 4.825 560 HA THR 73 HA THR 73 -2.298 -13.398 2.455 561 HB THR 73 HB THR 73 -4.212 -13.272 3.962 562 HG1 THR 73 HG1 THR 73 -5.396 -13.354 2.255 563 1HG2 THR 73 1HG2 THR 73 -4.652 -10.390 3.268 564 2HG2 THR 73 2HG2 THR 73 -5.219 -11.302 4.666 565 3HG2 THR 73 3HG2 THR 73 -3.536 -10.788 4.572 566 H VAL 74 H VAL 74 -2.300 -9.984 3.316 567 HA VAL 74 HA VAL 74 -2.567 -9.068 0.605 568 HB VAL 74 HB VAL 74 -2.613 -7.955 3.287 569 1HG1 VAL 74 1HG1 VAL 74 -1.164 -6.389 1.134 570 2HG1 VAL 74 2HG1 VAL 74 -1.783 -5.699 2.634 571 3HG1 VAL 74 3HG1 VAL 74 -0.500 -6.907 2.684 572 1HG2 VAL 74 1HG2 VAL 74 -3.559 -6.775 0.667 573 2HG2 VAL 74 2HG2 VAL 74 -4.432 -8.051 1.515 574 3HG2 VAL 74 3HG2 VAL 74 -4.207 -6.479 2.281 575 H LEU 75 H LEU 75 0.106 -9.436 2.897 576 HA LEU 75 HA LEU 75 2.106 -7.977 1.725 577 1HB LEU 75 2HB LEU 75 1.967 -10.226 3.534 578 2HB LEU 75 3HB LEU 75 3.360 -10.377 2.466 579 HG LEU 75 HG LEU 75 3.989 -8.019 3.027 580 1HD1 LEU 75 1HD1 LEU 75 2.114 -6.884 3.770 581 2HD1 LEU 75 2HD1 LEU 75 1.488 -8.277 4.649 582 3HD1 LEU 75 3HD1 LEU 75 2.815 -7.334 5.324 583 1HD2 LEU 75 1HD2 LEU 75 5.240 -9.530 4.279 584 2HD2 LEU 75 2HD2 LEU 75 4.442 -8.627 5.566 585 3HD2 LEU 75 3HD2 LEU 75 3.819 -10.204 5.078 586 HA PRO 76 HA PRO 76 3.356 -11.883 -1.052 587 1HB PRO 76 2HB PRO 76 0.807 -12.956 -1.864 588 2HB PRO 76 3HB PRO 76 2.133 -13.782 -1.033 589 1HG PRO 76 2HG PRO 76 -0.342 -12.688 0.048 590 2HG PRO 76 3HG PRO 76 0.772 -13.866 0.751 591 1HD PRO 76 2HD PRO 76 0.504 -11.308 1.692 592 2HD PRO 76 3HD PRO 76 2.005 -12.248 1.844 593 H LYS 77 H LYS 77 0.412 -9.962 -1.353 594 HA LYS 77 HA LYS 77 0.658 -9.673 -4.229 595 1HB LYS 77 2HB LYS 77 -1.171 -8.450 -2.158 596 2HB LYS 77 3HB LYS 77 -1.201 -7.962 -3.850 597 1HG LYS 77 2HG LYS 77 -2.807 -9.648 -3.853 598 2HG LYS 77 3HG LYS 77 -1.363 -10.560 -4.290 599 1HD LYS 77 2HD LYS 77 -1.051 -11.236 -1.952 600 2HD LYS 77 3HD LYS 77 -2.448 -10.273 -1.471 601 1HE LYS 77 2HE LYS 77 -3.266 -12.500 -1.674 602 2HE LYS 77 3HE LYS 77 -3.797 -11.679 -3.141 603 1HZ LYS 77 1HZ LYS 77 -1.251 -12.677 -3.632 604 2HZ LYS 77 1HZ LYS 77 -2.721 -13.202 -4.305 605 3HZ LYS 77 3HZ LYS 77 -2.123 -13.929 -2.891 606 H VAL 78 H VAL 78 1.247 -7.719 -1.338 607 HA VAL 78 HA VAL 78 1.921 -5.298 -2.599 608 HB VAL 78 HB VAL 78 2.856 -6.466 0.033 609 1HG1 VAL 78 1HG1 VAL 78 3.289 -4.008 0.559 610 2HG1 VAL 78 2HG1 VAL 78 4.430 -4.760 -0.555 611 3HG1 VAL 78 3HG1 VAL 78 3.159 -3.706 -1.174 612 1HG2 VAL 78 1HG2 VAL 78 0.864 -4.243 -0.338 613 2HG2 VAL 78 2HG2 VAL 78 0.341 -5.916 -0.526 614 3HG2 VAL 78 3HG2 VAL 78 1.030 -5.374 1.005 615 H GLU 79 H GLU 79 3.958 -8.046 -1.617 616 HA GLU 79 HA GLU 79 6.463 -7.012 -2.244 617 1HB GLU 79 2HB GLU 79 6.007 -9.210 -1.124 618 2HB GLU 79 3HB GLU 79 5.569 -9.869 -2.701 619 1HG GLU 79 2HG GLU 79 7.782 -9.484 -3.566 620 2HG GLU 79 3HG GLU 79 8.238 -8.552 -2.142 621 H ALA 80 H ALA 80 4.075 -8.557 -4.338 622 HA ALA 80 HA ALA 80 5.551 -8.805 -6.684 623 1HB ALA 80 1HB ALA 80 2.654 -7.996 -6.693 624 2HB ALA 80 2HB ALA 80 3.503 -9.079 -7.796 625 3HB ALA 80 3HB ALA 80 3.155 -9.597 -6.147 626 H VAL 81 H VAL 81 4.010 -5.974 -5.287 627 HA VAL 81 HA VAL 81 3.971 -4.275 -7.504 628 HB VAL 81 HB VAL 81 4.575 -3.432 -4.660 629 1HG1 VAL 81 1HG1 VAL 81 3.811 -1.319 -5.281 630 2HG1 VAL 81 2HG1 VAL 81 4.626 -1.828 -6.759 631 3HG1 VAL 81 3HG1 VAL 81 2.871 -1.944 -6.633 632 1HG2 VAL 81 1HG2 VAL 81 1.834 -3.727 -5.905 633 2HG2 VAL 81 2HG2 VAL 81 2.577 -5.028 -4.979 634 3HG2 VAL 81 3HG2 VAL 81 2.239 -3.481 -4.207 635 H PHE 82 H PHE 82 6.449 -4.151 -4.914 636 HA PHE 82 HA PHE 82 8.299 -2.818 -6.715 637 1HB PHE 82 2HB PHE 82 9.038 -3.819 -3.980 638 2HB PHE 82 3HB PHE 82 9.606 -2.383 -4.833 639 HD1 PHE 82 HD1 PHE 82 6.835 -3.857 -2.900 640 HD2 PHE 82 HD2 PHE 82 8.278 -0.340 -4.903 641 HE1 PHE 82 HE1 PHE 82 5.051 -2.515 -1.827 642 HE2 PHE 82 HE2 PHE 82 6.493 1.001 -3.827 643 HZ PHE 82 HZ PHE 82 4.882 -0.090 -2.292 644 H GLU 83 H GLU 83 7.468 -5.626 -7.254 645 HA GLU 83 HA GLU 83 10.089 -6.652 -7.879 646 1HB GLU 83 2HB GLU 83 9.433 -7.368 -5.428 647 2HB GLU 83 3HB GLU 83 8.405 -8.534 -6.258 648 1HG GLU 83 2HG GLU 83 10.562 -9.567 -5.826 649 2HG GLU 83 3HG GLU 83 10.399 -9.299 -7.560 650 H LEU 84 H LEU 84 9.277 -6.459 -9.994 651 HA LEU 84 HA LEU 84 7.857 -8.775 -10.948 652 1HB LEU 84 2HB LEU 84 6.118 -7.190 -12.116 653 2HB LEU 84 3HB LEU 84 5.839 -7.731 -10.462 654 HG LEU 84 HG LEU 84 6.824 -5.633 -9.604 655 1HD1 LEU 84 1HD1 LEU 84 7.200 -5.079 -12.551 656 2HD1 LEU 84 2HD1 LEU 84 7.130 -3.777 -11.364 657 3HD1 LEU 84 3HD1 LEU 84 8.400 -4.996 -11.261 658 1HD2 LEU 84 1HD2 LEU 84 4.388 -5.777 -10.087 659 2HD2 LEU 84 2HD2 LEU 84 5.009 -4.139 -10.289 660 3HD2 LEU 84 3HD2 LEU 84 4.691 -5.143 -11.704 661 H GLU 85 H GLU 85 10.346 -7.063 -11.298 662 HA GLU 85 HA GLU 85 11.813 -6.863 -13.081 663 1HB GLU 85 2HB GLU 85 10.054 -8.500 -14.239 664 2HB GLU 85 3HB GLU 85 9.663 -7.039 -15.146 665 1HG GLU 85 2HG GLU 85 11.377 -8.166 -16.384 666 2HG GLU 85 3HG GLU 85 12.149 -6.789 -15.601 667 H HIS 86 H HIS 86 12.584 -4.912 -13.486 668 HA HIS 86 HA HIS 86 10.683 -2.704 -13.984 669 1HB HIS 86 2HB HIS 86 11.971 -2.399 -11.952 670 2HB HIS 86 3HB HIS 86 13.477 -2.696 -12.817 671 HD1 HIS 86 HD1 HIS 86 11.173 -0.718 -14.839 672 HD2 HIS 86 HD2 HIS 86 14.019 0.098 -11.904 673 HE1 HIS 86 HE1 HIS 86 11.697 1.753 -15.017 674 H HIS 87 H HIS 87 10.562 -2.120 -16.040 675 HA HIS 87 HA HIS 87 12.990 -1.641 -17.581 676 1HB HIS 87 2HB HIS 87 10.891 -3.654 -18.412 677 2HB HIS 87 3HB HIS 87 12.013 -2.915 -19.551 678 HD1 HIS 87 HD1 HIS 87 14.639 -2.960 -18.136 679 HD2 HIS 87 HD2 HIS 87 11.955 -6.136 -17.848 680 HE1 HIS 87 HE1 HIS 87 15.999 -4.988 -17.464 681 H HIS 88 H HIS 88 12.158 -0.936 -19.932 682 HA HIS 88 HA HIS 88 9.894 0.927 -19.523 683 1HB HIS 88 2HB HIS 88 12.200 1.989 -19.592 684 2HB HIS 88 3HB HIS 88 12.310 1.452 -21.267 685 HD1 HIS 88 HD1 HIS 88 9.321 2.955 -19.431 686 HD2 HIS 88 HD2 HIS 88 11.787 3.769 -22.692 687 HE1 HIS 88 HE1 HIS 88 8.365 5.012 -20.557 688 H HIS 89 H HIS 89 8.749 -1.036 -20.397 689 HA HIS 89 HA HIS 89 9.021 -2.181 -22.868 690 1HB HIS 89 2HB HIS 89 6.324 -1.292 -21.842 691 2HB HIS 89 3HB HIS 89 6.714 -2.729 -22.787 692 HD1 HIS 89 HD1 HIS 89 5.821 -1.936 -19.495 693 HD2 HIS 89 HD2 HIS 89 8.874 -4.285 -21.091 694 HE1 HIS 89 HE1 HIS 89 6.566 -3.499 -17.645 695 H HIS 90 H HIS 90 9.210 -1.384 -24.847 696 HA HIS 90 HA HIS 90 7.483 0.760 -25.772 697 1HB HIS 90 2HB HIS 90 9.277 2.062 -24.779 698 2HB HIS 90 3HB HIS 90 10.488 1.101 -25.624 699 HD1 HIS 90 HD1 HIS 90 7.415 3.158 -26.610 700 HD2 HIS 90 HD2 HIS 90 11.270 2.323 -27.961 701 HE1 HIS 90 HE1 HIS 90 7.750 4.529 -28.712 702 H HIS 91 H HIS 91 10.130 -1.489 -26.386 703 HA HIS 91 HA HIS 91 10.669 -2.769 -28.209 704 1HB HIS 91 2HB HIS 91 8.197 -3.296 -28.081 705 2HB HIS 91 3HB HIS 91 7.938 -2.049 -29.299 706 HD1 HIS 91 HD1 HIS 91 10.784 -2.869 -30.740 707 HD2 HIS 91 HD2 HIS 91 7.489 -5.316 -30.013 708 HE1 HIS 91 HE1 HIS 91 10.925 -4.772 -32.403 Start of MODEL 2 1 1H MET 1 1HT MET 1 13.627 0.924 -6.182 2 2H MET 1 2HT MET 1 13.403 2.593 -6.407 3 3H MET 1 3HT MET 1 12.299 1.489 -7.073 4 HA MET 1 HA MET 1 12.605 2.375 -4.298 5 1HB MET 1 2HB MET 1 10.289 1.779 -6.164 6 2HB MET 1 3HB MET 1 10.085 2.215 -4.469 7 1HG MET 1 2HG MET 1 9.857 4.244 -5.742 8 2HG MET 1 3HG MET 1 11.427 4.313 -4.941 9 1HE MET 1 1HE MET 1 11.225 6.239 -6.626 10 2HE MET 1 2HE MET 1 12.004 6.176 -8.204 11 3HE MET 1 3HE MET 1 12.960 5.913 -6.746 12 H LYS 2 H LYS 2 12.700 0.944 -2.675 13 HA LYS 2 HA LYS 2 11.477 -1.699 -2.945 14 1HB LYS 2 2HB LYS 2 13.968 -1.662 -3.762 15 2HB LYS 2 3HB LYS 2 14.336 -1.583 -2.040 16 1HG LYS 2 2HG LYS 2 14.300 -3.890 -2.423 17 2HG LYS 2 3HG LYS 2 12.657 -3.589 -1.859 18 1HD LYS 2 2HD LYS 2 12.239 -4.834 -3.776 19 2HD LYS 2 3HD LYS 2 12.174 -3.195 -4.424 20 1HE LYS 2 2HE LYS 2 13.582 -4.369 -5.925 21 2HE LYS 2 3HE LYS 2 14.695 -3.472 -4.891 22 1HZ LYS 2 1HZ LYS 2 15.357 -5.349 -3.813 23 2HZ LYS 2 1HZ LYS 2 15.011 -6.018 -5.337 24 3HZ LYS 2 3HZ LYS 2 13.892 -6.167 -4.067 25 H ILE 3 H ILE 3 11.357 -2.847 -0.910 26 HA ILE 3 HA ILE 3 10.937 -1.053 1.325 27 HB ILE 3 HB ILE 3 10.700 -4.071 1.272 28 1HG1 ILE 3 2HG1 ILE 3 8.742 -1.904 0.450 29 2HG1 ILE 3 3HG1 ILE 3 9.321 -3.250 -0.528 30 1HG2 ILE 3 1HG2 ILE 3 10.684 -2.688 3.473 31 2HG2 ILE 3 2HG2 ILE 3 9.117 -2.096 2.920 32 3HG2 ILE 3 3HG2 ILE 3 9.359 -3.818 3.203 33 1HD1 ILE 3 1HD1 ILE 3 8.282 -4.724 1.393 34 2HD1 ILE 3 2HD1 ILE 3 7.347 -3.269 1.736 35 3HD1 ILE 3 3HD1 ILE 3 7.231 -4.037 0.154 36 H ILE 4 H ILE 4 12.423 -0.572 2.806 37 HA ILE 4 HA ILE 4 14.793 -2.320 3.062 38 HB ILE 4 HB ILE 4 14.665 0.461 4.180 39 1HG1 ILE 4 2HG1 ILE 4 13.838 0.662 1.856 40 2HG1 ILE 4 3HG1 ILE 4 15.446 1.357 2.023 41 1HG2 ILE 4 1HG2 ILE 4 16.597 -1.053 4.621 42 2HG2 ILE 4 2HG2 ILE 4 16.888 -1.141 2.884 43 3HG2 ILE 4 3HG2 ILE 4 17.057 0.397 3.730 44 1HD1 ILE 4 1HD1 ILE 4 15.352 0.006 -0.012 45 2HD1 ILE 4 2HD1 ILE 4 16.423 -0.766 1.152 46 3HD1 ILE 4 3HD1 ILE 4 14.792 -1.389 0.908 47 H SER 5 H SER 5 11.997 -1.159 4.695 48 HA SER 5 HA SER 5 12.503 -2.826 6.970 49 1HB SER 5 2HB SER 5 13.940 -1.032 7.690 50 2HB SER 5 3HB SER 5 12.712 0.172 7.311 51 HG SER 5 HG SER 5 12.388 -1.936 9.187 52 H ILE 6 H ILE 6 10.613 -3.533 7.656 53 HA ILE 6 HA ILE 6 8.174 -2.052 6.943 54 HB ILE 6 HB ILE 6 8.378 -4.880 8.010 55 1HG1 ILE 6 2HG1 ILE 6 8.177 -4.024 5.103 56 2HG1 ILE 6 3HG1 ILE 6 9.689 -4.509 5.867 57 1HG2 ILE 6 1HG2 ILE 6 6.225 -3.150 6.853 58 2HG2 ILE 6 2HG2 ILE 6 6.180 -4.877 6.507 59 3HG2 ILE 6 3HG2 ILE 6 6.141 -4.315 8.177 60 1HD1 ILE 6 1HD1 ILE 6 7.205 -6.197 5.486 61 2HD1 ILE 6 2HD1 ILE 6 8.799 -6.458 4.778 62 3HD1 ILE 6 3HD1 ILE 6 8.557 -6.682 6.511 63 H SER 7 H SER 7 6.340 -2.583 8.668 64 HA SER 7 HA SER 7 7.362 -2.267 11.406 65 1HB SER 7 2HB SER 7 5.719 -0.413 11.772 66 2HB SER 7 3HB SER 7 7.014 0.014 10.661 67 HG SER 7 HG SER 7 4.370 -0.038 10.243 68 H GLU 8 H GLU 8 5.966 -3.064 12.989 69 HA GLU 8 HA GLU 8 3.288 -3.882 12.356 70 1HB GLU 8 2HB GLU 8 5.358 -5.707 11.791 71 2HB GLU 8 3HB GLU 8 4.605 -6.271 13.281 72 1HG GLU 8 2HG GLU 8 3.034 -5.546 10.787 73 2HG GLU 8 3HG GLU 8 3.553 -7.186 11.171 74 H THR 9 H THR 9 5.788 -3.217 14.345 75 HA THR 9 HA THR 9 4.289 -3.920 16.787 76 HB THR 9 HB THR 9 7.202 -3.205 16.812 77 HG1 THR 9 HG1 THR 9 7.645 -4.956 15.773 78 1HG2 THR 9 1HG2 THR 9 7.204 -4.378 18.852 79 2HG2 THR 9 2HG2 THR 9 5.647 -3.555 18.865 80 3HG2 THR 9 3HG2 THR 9 5.733 -5.267 18.449 81 HA PRO 10 HA PRO 10 5.764 0.620 17.380 82 1HB PRO 10 2HB PRO 10 6.085 1.854 14.799 83 2HB PRO 10 3HB PRO 10 7.300 1.623 16.064 84 1HG PRO 10 2HG PRO 10 7.227 0.344 13.600 85 2HG PRO 10 3HG PRO 10 8.210 -0.120 14.995 86 1HD PRO 10 2HD PRO 10 5.742 -1.371 13.946 87 2HD PRO 10 3HD PRO 10 7.030 -2.074 14.950 88 H ASN 11 H ASN 11 3.628 -0.582 15.016 89 HA ASN 11 HA ASN 11 1.607 1.397 15.765 90 1HB ASN 11 2HB ASN 11 2.895 1.915 13.501 91 2HB ASN 11 3HB ASN 11 1.793 0.696 12.864 92 1HD2 ASN 11 2HD2 ASN 11 1.935 3.831 12.695 93 2HD2 ASN 11 1HD2 ASN 11 0.337 4.298 13.030 94 H HIS 12 H HIS 12 -0.177 0.400 13.659 95 HA HIS 12 HA HIS 12 -0.463 -2.407 13.763 96 1HB HIS 12 2HB HIS 12 -0.914 -1.948 16.170 97 2HB HIS 12 3HB HIS 12 -2.244 -0.895 15.696 98 HD1 HIS 12 HD1 HIS 12 -4.111 -2.378 16.662 99 HD2 HIS 12 HD2 HIS 12 -1.697 -4.372 13.909 100 HE1 HIS 12 HE1 HIS 12 -5.284 -4.558 16.124 101 H ASN 13 H ASN 13 -2.250 -3.116 12.558 102 HA ASN 13 HA ASN 13 -3.963 -3.004 11.035 103 1HB ASN 13 2HB ASN 13 -4.469 -0.156 11.890 104 2HB ASN 13 3HB ASN 13 -5.605 -1.305 11.190 105 1HD2 ASN 13 2HD2 ASN 13 -6.476 -2.987 12.591 106 2HD2 ASN 13 1HD2 ASN 13 -6.326 -2.891 14.278 107 H THR 14 H THR 14 -1.407 -0.718 11.088 108 HA THR 14 HA THR 14 -1.515 -0.523 8.177 109 HB THR 14 HB THR 14 -2.749 1.468 8.931 110 HG1 THR 14 HG1 THR 14 -0.656 2.881 8.242 111 1HG2 THR 14 1HG2 THR 14 -0.245 2.466 10.262 112 2HG2 THR 14 2HG2 THR 14 -1.905 3.024 10.462 113 3HG2 THR 14 3HG2 THR 14 -1.399 1.491 11.172 114 H MET 15 H MET 15 0.449 -0.809 7.345 115 HA MET 15 HA MET 15 2.776 -0.537 9.153 116 1HB MET 15 2HB MET 15 2.429 -2.199 6.644 117 2HB MET 15 3HB MET 15 3.913 -2.093 7.590 118 1HG MET 15 2HG MET 15 2.446 -2.799 9.602 119 2HG MET 15 3HG MET 15 1.264 -3.280 8.397 120 1HE MET 15 1HE MET 15 1.884 -4.478 6.339 121 2HE MET 15 2HE MET 15 2.875 -5.933 6.311 122 3HE MET 15 3HE MET 15 3.610 -4.368 5.978 123 H LYS 16 H LYS 16 4.565 0.587 8.530 124 HA LYS 16 HA LYS 16 4.183 2.407 6.254 125 1HB LYS 16 2HB LYS 16 5.828 3.834 7.277 126 2HB LYS 16 3HB LYS 16 4.667 3.367 8.517 127 1HG LYS 16 2HG LYS 16 6.500 2.798 9.729 128 2HG LYS 16 3HG LYS 16 6.532 1.356 8.718 129 1HD LYS 16 2HD LYS 16 8.041 2.460 7.135 130 2HD LYS 16 3HD LYS 16 7.965 3.949 8.072 131 1HE LYS 16 2HE LYS 16 9.158 1.302 8.929 132 2HE LYS 16 3HE LYS 16 10.000 2.831 8.696 133 1HZ LYS 16 1HZ LYS 16 8.262 3.629 10.469 134 2HZ LYS 16 1HZ LYS 16 9.709 2.875 10.940 135 3HZ LYS 16 3HZ LYS 16 8.259 1.987 10.894 136 H ILE 17 H ILE 17 5.400 2.283 4.473 137 HA ILE 17 HA ILE 17 7.404 0.143 4.338 138 HB ILE 17 HB ILE 17 6.031 1.773 2.188 139 1HG1 ILE 17 2HG1 ILE 17 5.837 -1.192 2.772 140 2HG1 ILE 17 3HG1 ILE 17 4.735 -0.014 3.487 141 1HG2 ILE 17 1HG2 ILE 17 7.986 1.248 1.086 142 2HG2 ILE 17 2HG2 ILE 17 8.327 -0.135 2.126 143 3HG2 ILE 17 3HG2 ILE 17 7.126 -0.271 0.842 144 1HD1 ILE 17 1HD1 ILE 17 3.961 -1.133 1.310 145 2HD1 ILE 17 2HD1 ILE 17 3.873 0.626 1.368 146 3HD1 ILE 17 3HD1 ILE 17 5.195 -0.159 0.506 147 H THR 18 H THR 18 9.448 0.670 4.701 148 HA THR 18 HA THR 18 10.371 3.412 4.409 149 HB THR 18 HB THR 18 12.040 0.994 5.108 150 HG1 THR 18 HG1 THR 18 10.011 2.206 6.471 151 1HG2 THR 18 1HG2 THR 18 13.530 2.539 6.076 152 2HG2 THR 18 2HG2 THR 18 13.027 3.338 4.587 153 3HG2 THR 18 3HG2 THR 18 12.315 3.816 6.129 154 H LEU 19 H LEU 19 11.379 4.213 2.682 155 HA LEU 19 HA LEU 19 12.126 2.387 0.496 156 1HB LEU 19 2HB LEU 19 11.937 5.407 0.412 157 2HB LEU 19 3HB LEU 19 12.001 4.296 -0.956 158 HG LEU 19 HG LEU 19 9.763 4.440 1.091 159 1HD1 LEU 19 1HD1 LEU 19 9.658 5.139 -1.850 160 2HD1 LEU 19 2HD1 LEU 19 8.455 5.483 -0.607 161 3HD1 LEU 19 3HD1 LEU 19 9.994 6.344 -0.606 162 1HD2 LEU 19 1HD2 LEU 19 9.948 2.180 0.290 163 2HD2 LEU 19 2HD2 LEU 19 8.635 2.925 -0.623 164 3HD2 LEU 19 3HD2 LEU 19 10.220 2.724 -1.365 165 H SER 20 H SER 20 13.982 3.710 -0.870 166 HA SER 20 HA SER 20 16.375 3.256 0.564 167 1HB SER 20 2HB SER 20 17.499 4.149 -1.395 168 2HB SER 20 3HB SER 20 16.158 3.132 -1.915 169 HG SER 20 HG SER 20 15.572 5.805 -1.481 170 H GLU 21 H GLU 21 14.206 5.708 0.948 171 HA GLU 21 HA GLU 21 14.239 7.772 1.939 172 1HB GLU 21 2HB GLU 21 16.757 6.522 3.017 173 2HB GLU 21 3HB GLU 21 16.304 8.171 3.450 174 1HG GLU 21 2HG GLU 21 14.229 7.450 4.401 175 2HG GLU 21 3HG GLU 21 14.404 5.833 3.724 176 H SER 22 H SER 22 14.332 8.801 -0.127 177 HA SER 22 HA SER 22 16.955 9.700 -1.059 178 1HB SER 22 2HB SER 22 14.985 8.889 -2.555 179 2HB SER 22 3HB SER 22 14.332 10.503 -2.285 180 HG SER 22 HG SER 22 15.616 10.674 -4.054 181 H ARG 23 H ARG 23 17.691 11.761 -0.918 182 HA ARG 23 HA ARG 23 16.554 13.476 1.063 183 1HB ARG 23 2HB ARG 23 18.655 14.251 -0.966 184 2HB ARG 23 3HB ARG 23 18.407 14.916 0.647 185 1HG ARG 23 2HG ARG 23 18.882 12.564 1.540 186 2HG ARG 23 3HG ARG 23 19.441 12.168 -0.088 187 1HD ARG 23 2HD ARG 23 21.388 12.835 1.130 188 2HD ARG 23 3HD ARG 23 20.980 14.187 0.078 189 HE ARG 23 HE ARG 23 20.356 15.431 1.972 190 1HH1 ARG 23 1HH1 ARG 23 20.214 12.140 2.862 191 2HH1 ARG 23 2HH1 ARG 23 20.655 12.403 4.514 192 1HH2 ARG 23 1HH2 ARG 23 21.288 15.783 4.084 193 2HH2 ARG 23 2HH2 ARG 23 21.253 14.465 5.209 194 H GLU 24 H GLU 24 14.930 14.852 0.823 195 HA GLU 24 HA GLU 24 13.213 15.995 -0.235 196 1HB GLU 24 2HB GLU 24 15.131 17.609 0.043 197 2HB GLU 24 3HB GLU 24 15.553 17.297 -1.642 198 1HG GLU 24 2HG GLU 24 13.217 17.971 -2.281 199 2HG GLU 24 3HG GLU 24 12.944 18.432 -0.601 200 H GLY 25 H GLY 25 12.750 13.871 -1.408 201 1HA GLY 25 1HA GLY 25 12.641 14.440 -4.295 202 2HA GLY 25 2HA GLY 25 13.304 12.893 -3.770 203 H MET 26 H MET 26 11.591 12.469 -1.554 204 HA MET 26 HA MET 26 9.153 11.660 -2.972 205 1HB MET 26 2HB MET 26 9.968 10.930 -0.154 206 2HB MET 26 3HB MET 26 8.819 10.099 -1.202 207 1HG MET 26 2HG MET 26 11.823 10.271 -1.547 208 2HG MET 26 3HG MET 26 10.861 8.824 -1.249 209 1HE MET 26 1HE MET 26 11.209 7.277 -3.089 210 2HE MET 26 2HE MET 26 12.651 8.252 -3.357 211 3HE MET 26 3HE MET 26 11.660 7.761 -4.729 212 H THR 27 H THR 27 7.565 13.128 -2.955 213 HA THR 27 HA THR 27 7.296 15.104 -0.879 214 HB THR 27 HB THR 27 5.338 15.853 -2.162 215 HG1 THR 27 HG1 THR 27 4.836 14.664 -4.068 216 1HG2 THR 27 1HG2 THR 27 7.536 15.095 -4.088 217 2HG2 THR 27 2HG2 THR 27 6.519 16.536 -4.112 218 3HG2 THR 27 3HG2 THR 27 7.749 16.342 -2.862 219 H SER 28 H SER 28 4.191 14.438 -1.584 220 HA SER 28 HA SER 28 3.693 12.314 0.332 221 1HB SER 28 2HB SER 28 2.316 13.724 1.819 222 2HB SER 28 3HB SER 28 3.994 14.251 1.824 223 HG SER 28 HG SER 28 3.204 16.113 1.264 224 H ASP 29 H ASP 29 1.663 11.409 0.073 225 HA ASP 29 HA ASP 29 -0.368 12.770 -1.509 226 1HB ASP 29 2HB ASP 29 0.677 10.108 -2.484 227 2HB ASP 29 3HB ASP 29 -0.498 11.163 -3.269 228 H THR 30 H THR 30 -2.362 11.449 -1.687 229 HA THR 30 HA THR 30 -2.613 9.274 0.260 230 HB THR 30 HB THR 30 -4.399 11.722 0.332 231 HG1 THR 30 HG1 THR 30 -3.345 11.590 2.580 232 1HG2 THR 30 1HG2 THR 30 -4.965 10.412 2.588 233 2HG2 THR 30 2HG2 THR 30 -5.787 10.029 1.075 234 3HG2 THR 30 3HG2 THR 30 -4.446 9.027 1.629 235 H TYR 31 H TYR 31 -3.527 7.666 -0.890 236 HA TYR 31 HA TYR 31 -5.417 8.391 -3.032 237 1HB TYR 31 2HB TYR 31 -4.201 5.662 -2.652 238 2HB TYR 31 3HB TYR 31 -4.885 6.368 -4.114 239 HD1 TYR 31 HD1 TYR 31 -3.647 9.054 -4.155 240 HD2 TYR 31 HD2 TYR 31 -1.932 5.242 -3.157 241 HE1 TYR 31 HE1 TYR 31 -1.410 9.893 -4.799 242 HE2 TYR 31 HE2 TYR 31 0.309 6.088 -3.798 243 HH TYR 31 HH TYR 31 0.730 9.379 -5.100 244 H THR 32 H THR 32 -7.460 7.859 -2.972 245 HA THR 32 HA THR 32 -8.475 6.042 -0.873 246 HB THR 32 HB THR 32 -10.595 7.474 -1.071 247 HG1 THR 32 HG1 THR 32 -9.054 9.614 -1.807 248 1HG2 THR 32 1HG2 THR 32 -9.521 9.341 0.343 249 2HG2 THR 32 2HG2 THR 32 -9.343 7.686 0.928 250 3HG2 THR 32 3HG2 THR 32 -8.002 8.478 0.100 251 H LYS 33 H LYS 33 -7.710 4.847 -2.956 252 HA LYS 33 HA LYS 33 -8.502 3.208 -4.377 253 1HB LYS 33 2HB LYS 33 -10.716 2.834 -4.699 254 2HB LYS 33 3HB LYS 33 -10.907 3.995 -3.398 255 1HG LYS 33 2HG LYS 33 -12.393 4.773 -5.045 256 2HG LYS 33 3HG LYS 33 -10.977 5.780 -5.302 257 1HD LYS 33 2HD LYS 33 -11.021 5.075 -7.451 258 2HD LYS 33 3HD LYS 33 -10.474 3.512 -6.849 259 1HE LYS 33 2HE LYS 33 -12.490 3.249 -8.229 260 2HE LYS 33 3HE LYS 33 -12.830 2.809 -6.556 261 1HZ LYS 33 1HZ LYS 33 -13.391 5.466 -7.755 262 2HZ LYS 33 1HZ LYS 33 -13.813 4.954 -6.192 263 3HZ LYS 33 3HZ LYS 33 -14.543 4.241 -7.551 264 H VAL 34 H VAL 34 -7.175 3.429 -5.945 265 HA VAL 34 HA VAL 34 -5.880 4.680 -7.478 266 HB VAL 34 HB VAL 34 -8.177 4.171 -9.281 267 1HG1 VAL 34 1HG1 VAL 34 -5.297 3.226 -9.249 268 2HG1 VAL 34 2HG1 VAL 34 -6.412 3.154 -10.611 269 3HG1 VAL 34 3HG1 VAL 34 -5.840 4.716 -10.025 270 1HG2 VAL 34 1HG2 VAL 34 -8.630 2.350 -7.867 271 2HG2 VAL 34 2HG2 VAL 34 -7.492 1.659 -9.028 272 3HG2 VAL 34 3HG2 VAL 34 -6.935 2.148 -7.429 273 H ASP 35 H ASP 35 -5.495 6.777 -7.497 274 HA ASP 35 HA ASP 35 -7.204 8.551 -9.001 275 1HB ASP 35 2HB ASP 35 -7.274 10.242 -7.090 276 2HB ASP 35 3HB ASP 35 -8.359 8.864 -6.945 277 H ASP 36 H ASP 36 -6.148 10.963 -8.538 278 HA ASP 36 HA ASP 36 -4.342 12.260 -9.127 279 1HB ASP 36 2HB ASP 36 -3.246 10.395 -7.044 280 2HB ASP 36 3HB ASP 36 -2.201 11.588 -7.817 281 H SER 37 H SER 37 -2.014 9.763 -8.634 282 HA SER 37 HA SER 37 -1.984 8.606 -11.213 283 1HB SER 37 2HB SER 37 -1.364 10.661 -12.171 284 2HB SER 37 3HB SER 37 -0.324 11.090 -10.819 285 HG SER 37 HG SER 37 1.064 10.401 -12.334 286 H GLN 38 H GLN 38 -1.790 7.202 -9.091 287 HA GLN 38 HA GLN 38 0.939 6.878 -8.132 288 1HB GLN 38 2HB GLN 38 -0.213 4.714 -7.123 289 2HB GLN 38 3HB GLN 38 -0.508 6.292 -6.413 290 1HG GLN 38 2HG GLN 38 -2.318 5.567 -8.637 291 2HG GLN 38 3HG GLN 38 -2.473 4.572 -7.190 292 1HE2 GLN 38 2HE2 GLN 38 -4.415 5.469 -6.343 293 2HE2 GLN 38 1HE2 GLN 38 -4.538 7.088 -5.861 294 HA PRO 39 HA PRO 39 2.358 4.043 -11.146 295 1HB PRO 39 2HB PRO 39 3.286 2.035 -9.298 296 2HB PRO 39 3HB PRO 39 4.243 3.231 -10.177 297 1HG PRO 39 2HG PRO 39 3.533 3.186 -7.405 298 2HG PRO 39 3HG PRO 39 4.585 4.317 -8.262 299 1HD PRO 39 2HD PRO 39 2.014 4.860 -7.207 300 2HD PRO 39 3HD PRO 39 2.981 5.916 -8.253 301 H ALA 40 H ALA 40 1.416 2.399 -12.317 302 HA ALA 40 HA ALA 40 -1.065 1.366 -11.740 303 1HB ALA 40 1HB ALA 40 -0.712 -0.252 -13.460 304 2HB ALA 40 2HB ALA 40 0.213 1.176 -13.929 305 3HB ALA 40 3HB ALA 40 1.036 -0.217 -13.226 306 H PHE 41 H PHE 41 2.095 0.114 -10.876 307 HA PHE 41 HA PHE 41 1.407 -2.365 -9.811 308 1HB PHE 41 2HB PHE 41 3.498 -0.639 -8.515 309 2HB PHE 41 3HB PHE 41 3.528 -2.373 -8.831 310 HD1 PHE 41 HD1 PHE 41 5.102 0.495 -9.766 311 HD2 PHE 41 HD2 PHE 41 2.960 -2.758 -11.584 312 HE1 PHE 41 HE1 PHE 41 6.283 0.911 -11.906 313 HE2 PHE 41 HE2 PHE 41 4.145 -2.341 -13.721 314 HZ PHE 41 HZ PHE 41 5.805 -0.506 -13.881 315 H ILE 42 H ILE 42 1.167 0.869 -8.429 316 HA ILE 42 HA ILE 42 0.498 -0.034 -5.773 317 HB ILE 42 HB ILE 42 0.577 2.611 -7.187 318 1HG1 ILE 42 2HG1 ILE 42 2.525 1.450 -5.950 319 2HG1 ILE 42 3HG1 ILE 42 2.203 3.135 -5.556 320 1HG2 ILE 42 1HG2 ILE 42 -1.459 2.945 -6.035 321 2HG2 ILE 42 2HG2 ILE 42 -0.935 1.982 -4.655 322 3HG2 ILE 42 3HG2 ILE 42 -0.238 3.578 -4.932 323 1HD1 ILE 42 1HD1 ILE 42 1.471 2.651 -3.448 324 2HD1 ILE 42 2HD1 ILE 42 0.727 1.129 -3.940 325 3HD1 ILE 42 3HD1 ILE 42 2.467 1.214 -3.669 326 H ASN 43 H ASN 43 -1.230 0.516 -8.730 327 HA ASN 43 HA ASN 43 -3.804 1.010 -7.674 328 1HB ASN 43 2HB ASN 43 -3.021 -0.396 -10.244 329 2HB ASN 43 3HB ASN 43 -4.625 0.198 -9.857 330 1HD2 ASN 43 2HD2 ASN 43 -2.470 2.385 -8.494 331 2HD2 ASN 43 1HD2 ASN 43 -2.406 3.508 -9.766 332 H ASP 44 H ASP 44 -1.919 -1.903 -8.273 333 HA ASP 44 HA ASP 44 -3.887 -3.868 -7.884 334 1HB ASP 44 2HB ASP 44 -1.048 -4.093 -6.866 335 2HB ASP 44 3HB ASP 44 -2.103 -5.383 -7.435 336 H ILE 45 H ILE 45 -1.665 -2.410 -5.519 337 HA ILE 45 HA ILE 45 -2.481 -3.619 -3.190 338 HB ILE 45 HB ILE 45 -1.538 -0.809 -3.762 339 1HG1 ILE 45 2HG1 ILE 45 -0.199 -3.089 -2.282 340 2HG1 ILE 45 3HG1 ILE 45 -0.024 -2.842 -4.019 341 1HG2 ILE 45 1HG2 ILE 45 -2.831 -0.584 -1.740 342 2HG2 ILE 45 2HG2 ILE 45 -2.167 -2.081 -1.086 343 3HG2 ILE 45 3HG2 ILE 45 -1.134 -0.664 -1.269 344 1HD1 ILE 45 1HD1 ILE 45 0.449 -0.433 -2.361 345 2HD1 ILE 45 2HD1 ILE 45 1.628 -1.727 -2.156 346 3HD1 ILE 45 3HD1 ILE 45 1.348 -1.037 -3.754 347 H LEU 46 H LEU 46 -3.832 -0.620 -4.584 348 HA LEU 46 HA LEU 46 -5.899 -0.329 -2.664 349 1HB LEU 46 2HB LEU 46 -5.709 0.729 -5.499 350 2HB LEU 46 3HB LEU 46 -6.877 1.268 -4.289 351 HG LEU 46 HG LEU 46 -3.876 1.367 -3.851 352 1HD1 LEU 46 1HD1 LEU 46 -4.648 2.813 -5.773 353 2HD1 LEU 46 2HD1 LEU 46 -5.690 3.663 -4.634 354 3HD1 LEU 46 3HD1 LEU 46 -3.940 3.708 -4.426 355 1HD2 LEU 46 1HD2 LEU 46 -4.808 1.536 -1.742 356 2HD2 LEU 46 2HD2 LEU 46 -4.880 3.231 -2.225 357 3HD2 LEU 46 3HD2 LEU 46 -6.319 2.217 -2.346 358 H LYS 47 H LYS 47 -5.746 -1.978 -5.791 359 HA LYS 47 HA LYS 47 -8.573 -2.642 -5.762 360 1HB LYS 47 2HB LYS 47 -6.258 -3.356 -7.563 361 2HB LYS 47 3HB LYS 47 -7.838 -4.118 -7.743 362 1HG LYS 47 2HG LYS 47 -8.876 -1.877 -7.971 363 2HG LYS 47 3HG LYS 47 -7.279 -1.138 -7.849 364 1HD LYS 47 2HD LYS 47 -6.588 -1.969 -9.929 365 2HD LYS 47 3HD LYS 47 -7.784 -3.265 -9.918 366 1HE LYS 47 2HE LYS 47 -8.567 -0.342 -10.054 367 2HE LYS 47 3HE LYS 47 -8.274 -1.308 -11.499 368 1HZ LYS 47 1HZ LYS 47 -9.913 -2.823 -9.879 369 2HZ LYS 47 1HZ LYS 47 -10.346 -2.032 -11.319 370 3HZ LYS 47 3HZ LYS 47 -10.553 -1.255 -9.821 371 H VAL 48 H VAL 48 -5.789 -3.866 -4.278 372 HA VAL 48 HA VAL 48 -6.478 -6.665 -4.330 373 HB VAL 48 HB VAL 48 -4.419 -5.002 -2.904 374 1HG1 VAL 48 1HG1 VAL 48 -4.970 -6.442 -1.122 375 2HG1 VAL 48 2HG1 VAL 48 -5.334 -7.790 -2.201 376 3HG1 VAL 48 3HG1 VAL 48 -3.662 -7.295 -1.940 377 1HG2 VAL 48 1HG2 VAL 48 -4.416 -6.270 -5.310 378 2HG2 VAL 48 2HG2 VAL 48 -2.959 -6.022 -4.346 379 3HG2 VAL 48 3HG2 VAL 48 -3.809 -7.564 -4.279 380 H GLU 49 H GLU 49 -8.023 -7.591 -3.173 381 HA GLU 49 HA GLU 49 -9.709 -6.314 -1.375 382 1HB GLU 49 2HB GLU 49 -8.997 -9.251 -1.549 383 2HB GLU 49 3HB GLU 49 -10.354 -8.603 -0.633 384 1HG GLU 49 2HG GLU 49 -11.103 -7.493 -2.821 385 2HG GLU 49 3HG GLU 49 -9.929 -8.528 -3.626 386 H GLY 50 H GLY 50 -9.839 -6.183 0.859 387 1HA GLY 50 1HA GLY 50 -9.135 -6.633 3.084 388 2HA GLY 50 2HA GLY 50 -7.589 -7.193 2.456 389 H VAL 51 H VAL 51 -7.330 -4.849 0.659 390 HA VAL 51 HA VAL 51 -6.043 -3.086 2.551 391 HB VAL 51 HB VAL 51 -6.360 -2.933 -0.458 392 1HG1 VAL 51 1HG1 VAL 51 -5.936 -0.706 0.052 393 2HG1 VAL 51 2HG1 VAL 51 -5.095 -1.102 1.551 394 3HG1 VAL 51 3HG1 VAL 51 -4.288 -1.327 -0.001 395 1HG2 VAL 51 1HG2 VAL 51 -4.955 -4.781 0.726 396 2HG2 VAL 51 2HG2 VAL 51 -4.192 -3.860 -0.569 397 3HG2 VAL 51 3HG2 VAL 51 -3.840 -3.470 1.114 398 H LYS 52 H LYS 52 -6.479 -0.885 2.871 399 HA LYS 52 HA LYS 52 -9.300 -0.135 2.396 400 1HB LYS 52 2HB LYS 52 -8.695 -0.320 4.755 401 2HB LYS 52 3HB LYS 52 -7.351 0.793 4.516 402 1HG LYS 52 2HG LYS 52 -8.843 2.611 3.983 403 2HG LYS 52 3HG LYS 52 -10.231 1.529 3.947 404 1HD LYS 52 2HD LYS 52 -8.674 1.473 6.464 405 2HD LYS 52 3HD LYS 52 -9.497 2.995 6.134 406 1HE LYS 52 2HE LYS 52 -10.784 1.127 7.433 407 2HE LYS 52 3HE LYS 52 -11.622 2.001 6.152 408 1HZ LYS 52 1HZ LYS 52 -12.025 0.006 5.295 409 2HZ LYS 52 1HZ LYS 52 -10.896 -0.763 6.304 410 3HZ LYS 52 3HZ LYS 52 -10.391 -0.044 4.852 411 H SER 53 H SER 53 -6.122 1.447 2.817 412 HA SER 53 HA SER 53 -6.373 2.979 0.395 413 1HB SER 53 2HB SER 53 -6.576 5.194 1.394 414 2HB SER 53 3HB SER 53 -7.963 4.216 1.856 415 HG SER 53 HG SER 53 -7.358 4.387 3.855 416 H ILE 54 H ILE 54 -4.646 4.958 0.648 417 HA ILE 54 HA ILE 54 -2.289 3.924 2.096 418 HB ILE 54 HB ILE 54 -2.353 4.688 -0.836 419 1HG1 ILE 54 2HG1 ILE 54 -1.699 2.091 0.603 420 2HG1 ILE 54 3HG1 ILE 54 -3.162 2.405 -0.327 421 1HG2 ILE 54 1HG2 ILE 54 -0.058 4.018 1.032 422 2HG2 ILE 54 2HG2 ILE 54 0.085 4.062 -0.724 423 3HG2 ILE 54 3HG2 ILE 54 -0.309 5.534 0.164 424 1HD1 ILE 54 1HD1 ILE 54 -1.233 3.081 -2.144 425 2HD1 ILE 54 2HD1 ILE 54 -0.436 1.778 -1.264 426 3HD1 ILE 54 3HD1 ILE 54 -1.989 1.489 -2.045 427 H PHE 55 H PHE 55 -0.685 5.468 2.570 428 HA PHE 55 HA PHE 55 -1.338 8.295 2.053 429 1HB PHE 55 2HB PHE 55 -2.253 7.564 4.300 430 2HB PHE 55 3HB PHE 55 -0.587 7.274 4.800 431 HD1 PHE 55 HD1 PHE 55 -2.986 9.861 3.658 432 HD2 PHE 55 HD2 PHE 55 0.901 9.094 5.321 433 HE1 PHE 55 HE1 PHE 55 -2.733 12.272 4.177 434 HE2 PHE 55 HE2 PHE 55 1.154 11.509 5.838 435 HZ PHE 55 HZ PHE 55 -0.662 13.098 5.262 436 H HIS 56 H HIS 56 0.395 8.960 0.952 437 HA HIS 56 HA HIS 56 3.070 7.966 1.661 438 1HB HIS 56 2HB HIS 56 2.531 7.834 -0.693 439 2HB HIS 56 3HB HIS 56 2.042 9.527 -0.724 440 HD1 HIS 56 HD1 HIS 56 3.805 10.804 -1.929 441 HD2 HIS 56 HD2 HIS 56 5.461 7.928 0.591 442 HE1 HIS 56 HE1 HIS 56 6.317 11.087 -2.072 443 H VAL 57 H VAL 57 4.619 9.242 2.517 444 HA VAL 57 HA VAL 57 4.565 12.103 2.444 445 HB VAL 57 HB VAL 57 2.809 11.655 4.164 446 1HG1 VAL 57 1HG1 VAL 57 3.302 10.545 6.194 447 2HG1 VAL 57 2HG1 VAL 57 4.049 9.527 4.963 448 3HG1 VAL 57 3HG1 VAL 57 5.042 10.629 5.918 449 1HG2 VAL 57 1HG2 VAL 57 3.536 13.378 5.560 450 2HG2 VAL 57 2HG2 VAL 57 5.195 12.783 5.604 451 3HG2 VAL 57 3HG2 VAL 57 4.589 13.605 4.163 452 H MET 58 H MET 58 6.347 13.000 3.907 453 HA MET 58 HA MET 58 8.651 13.064 4.148 454 1HB MET 58 2HB MET 58 7.726 12.138 6.295 455 2HB MET 58 3HB MET 58 8.094 10.522 5.697 456 1HG MET 58 2HG MET 58 10.488 11.696 5.266 457 2HG MET 58 3HG MET 58 9.938 12.666 6.630 458 1HE MET 58 1HE MET 58 9.101 11.835 8.769 459 2HE MET 58 2HE MET 58 10.851 11.964 8.934 460 3HE MET 58 3HE MET 58 10.006 10.583 9.629 461 H ASP 59 H ASP 59 9.180 9.737 4.640 462 HA ASP 59 HA ASP 59 9.939 9.262 1.839 463 1HB ASP 59 2HB ASP 59 12.122 8.265 2.701 464 2HB ASP 59 3HB ASP 59 12.015 10.022 2.724 465 H PHE 60 H PHE 60 7.719 8.247 3.088 466 HA PHE 60 HA PHE 60 8.196 5.415 2.883 467 1HB PHE 60 2HB PHE 60 7.569 4.763 5.092 468 2HB PHE 60 3HB PHE 60 8.812 6.000 5.288 469 HD1 PHE 60 HD1 PHE 60 5.169 5.314 5.475 470 HD2 PHE 60 HD2 PHE 60 8.296 8.164 6.235 471 HE1 PHE 60 HE1 PHE 60 3.590 6.696 6.797 472 HE2 PHE 60 HE2 PHE 60 6.714 9.541 7.561 473 HZ PHE 60 HZ PHE 60 4.364 8.808 7.842 474 H ILE 61 H ILE 61 6.107 4.185 3.253 475 HA ILE 61 HA ILE 61 3.758 5.862 2.604 476 HB ILE 61 HB ILE 61 4.482 3.214 1.318 477 1HG1 ILE 61 2HG1 ILE 61 4.270 5.953 0.029 478 2HG1 ILE 61 3HG1 ILE 61 5.800 5.290 0.605 479 1HG2 ILE 61 1HG2 ILE 61 2.143 3.250 1.350 480 2HG2 ILE 61 2HG2 ILE 61 2.068 5.007 1.241 481 3HG2 ILE 61 3HG2 ILE 61 2.493 4.054 -0.182 482 1HD1 ILE 61 1HD1 ILE 61 5.464 3.306 -0.856 483 2HD1 ILE 61 2HD1 ILE 61 3.983 4.037 -1.473 484 3HD1 ILE 61 3HD1 ILE 61 5.538 4.807 -1.779 485 H SER 62 H SER 62 2.095 5.520 3.918 486 HA SER 62 HA SER 62 2.138 3.188 5.708 487 1HB SER 62 2HB SER 62 1.801 5.060 7.032 488 2HB SER 62 3HB SER 62 0.880 5.904 5.793 489 HG SER 62 HG SER 62 -0.368 5.055 7.592 490 H VAL 63 H VAL 63 1.016 1.467 5.103 491 HA VAL 63 HA VAL 63 -1.345 1.811 3.365 492 HB VAL 63 HB VAL 63 0.263 -0.693 3.935 493 1HG1 VAL 63 1HG1 VAL 63 -2.116 -0.029 2.233 494 2HG1 VAL 63 2HG1 VAL 63 -0.965 -1.225 1.641 495 3HG1 VAL 63 3HG1 VAL 63 -1.785 -1.478 3.183 496 1HG2 VAL 63 1HG2 VAL 63 1.427 -0.318 1.904 497 2HG2 VAL 63 2HG2 VAL 63 0.281 0.914 1.373 498 3HG2 VAL 63 3HG2 VAL 63 1.415 1.263 2.677 499 H ASP 64 H ASP 64 -3.264 1.697 4.351 500 HA ASP 64 HA ASP 64 -3.463 0.177 6.870 501 1HB ASP 64 2HB ASP 64 -5.670 1.487 7.085 502 2HB ASP 64 3HB ASP 64 -4.167 2.370 7.319 503 H LYS 65 H LYS 65 -4.957 -1.397 7.148 504 HA LYS 65 HA LYS 65 -6.601 -2.166 4.813 505 1HB LYS 65 2HB LYS 65 -6.102 -4.534 5.361 506 2HB LYS 65 3HB LYS 65 -4.651 -3.640 4.909 507 1HG LYS 65 2HG LYS 65 -4.013 -3.380 7.237 508 2HG LYS 65 3HG LYS 65 -5.542 -4.079 7.774 509 1HD LYS 65 2HD LYS 65 -4.851 -6.155 6.393 510 2HD LYS 65 3HD LYS 65 -3.232 -5.453 6.410 511 1HE LYS 65 2HE LYS 65 -3.321 -5.361 8.896 512 2HE LYS 65 3HE LYS 65 -4.907 -6.128 8.850 513 1HZ LYS 65 1HZ LYS 65 -3.079 -7.706 9.229 514 2HZ LYS 65 1HZ LYS 65 -2.439 -7.310 7.706 515 3HZ LYS 65 3HZ LYS 65 -3.962 -8.049 7.824 516 H GLU 66 H GLU 66 -7.941 -4.264 5.805 517 HA GLU 66 HA GLU 66 -9.568 -3.058 7.935 518 1HB GLU 66 2HB GLU 66 -10.084 -5.044 5.752 519 2HB GLU 66 3HB GLU 66 -11.095 -5.075 7.196 520 1HG GLU 66 2HG GLU 66 -10.574 -2.472 5.781 521 2HG GLU 66 3HG GLU 66 -11.814 -3.568 5.179 522 H ASN 67 H ASN 67 -9.867 -4.002 9.882 523 HA ASN 67 HA ASN 67 -7.992 -5.749 10.963 524 1HB ASN 67 2HB ASN 67 -9.741 -6.095 12.782 525 2HB ASN 67 3HB ASN 67 -9.265 -4.429 12.466 526 1HD2 ASN 67 2HD2 ASN 67 -11.897 -5.627 13.504 527 2HD2 ASN 67 1HD2 ASN 67 -13.082 -4.967 12.483 528 H ASP 68 H ASP 68 -10.914 -6.416 9.194 529 HA ASP 68 HA ASP 68 -11.300 -9.126 9.946 530 1HB ASP 68 2HB ASP 68 -11.987 -8.020 7.232 531 2HB ASP 68 3HB ASP 68 -12.847 -9.235 8.179 532 H ALA 69 H ALA 69 -9.249 -7.570 7.541 533 HA ALA 69 HA ALA 69 -8.482 -10.113 6.335 534 1HB ALA 69 1HB ALA 69 -8.647 -8.356 4.762 535 2HB ALA 69 2HB ALA 69 -7.772 -7.229 5.799 536 3HB ALA 69 3HB ALA 69 -6.914 -8.555 5.014 537 H ASN 70 H ASN 70 -5.967 -10.245 5.901 538 HA ASN 70 HA ASN 70 -4.506 -9.704 8.416 539 1HB ASN 70 2HB ASN 70 -4.631 -12.299 6.867 540 2HB ASN 70 3HB ASN 70 -3.411 -11.959 8.094 541 1HD2 ASN 70 2HD2 ASN 70 -4.334 -11.360 10.334 542 2HD2 ASN 70 1HD2 ASN 70 -5.782 -12.106 10.809 543 H TRP 71 H TRP 71 -2.127 -9.847 8.150 544 HA TRP 71 HA TRP 71 -1.296 -8.400 5.800 545 1HB TRP 71 2HB TRP 71 0.079 -9.333 8.306 546 2HB TRP 71 3HB TRP 71 1.013 -8.688 6.955 547 HD1 TRP 71 HD1 TRP 71 -0.631 -7.568 9.984 548 HE1 TRP 71 HE1 TRP 71 -1.140 -5.039 9.907 549 HE3 TRP 71 HE3 TRP 71 0.083 -6.673 5.007 550 HZ2 TRP 71 HZ2 TRP 71 -1.226 -2.920 7.992 551 HZ3 TRP 71 HZ3 TRP 71 -0.220 -4.392 4.084 552 HH2 TRP 71 HH2 TRP 71 -0.873 -2.517 5.568 553 H GLU 72 H GLU 72 -0.272 -11.516 7.235 554 HA GLU 72 HA GLU 72 1.489 -12.372 5.313 555 1HB GLU 72 2HB GLU 72 1.196 -13.702 7.266 556 2HB GLU 72 3HB GLU 72 -0.517 -13.940 6.936 557 1HG GLU 72 2HG GLU 72 -0.034 -15.324 5.020 558 2HG GLU 72 3HG GLU 72 1.684 -14.929 5.101 559 H THR 73 H THR 73 -1.906 -11.923 4.960 560 HA THR 73 HA THR 73 -2.115 -13.604 2.579 561 HB THR 73 HB THR 73 -4.055 -11.853 4.098 562 HG1 THR 73 HG1 THR 73 -4.563 -14.499 3.547 563 1HG2 THR 73 1HG2 THR 73 -5.745 -12.935 2.464 564 2HG2 THR 73 2HG2 THR 73 -4.790 -11.578 1.870 565 3HG2 THR 73 3HG2 THR 73 -4.347 -13.227 1.427 566 H VAL 74 H VAL 74 -2.287 -10.196 3.475 567 HA VAL 74 HA VAL 74 -2.488 -9.320 0.730 568 HB VAL 74 HB VAL 74 -2.839 -8.193 3.404 569 1HG1 VAL 74 1HG1 VAL 74 -2.367 -5.861 2.679 570 2HG1 VAL 74 2HG1 VAL 74 -0.911 -6.844 2.813 571 3HG1 VAL 74 3HG1 VAL 74 -1.597 -6.500 1.227 572 1HG2 VAL 74 1HG2 VAL 74 -4.563 -6.918 2.222 573 2HG2 VAL 74 2HG2 VAL 74 -3.887 -7.411 0.670 574 3HG2 VAL 74 3HG2 VAL 74 -4.631 -8.610 1.728 575 H LEU 75 H LEU 75 0.009 -9.338 3.247 576 HA LEU 75 HA LEU 75 1.895 -7.655 2.200 577 1HB LEU 75 2HB LEU 75 1.880 -9.408 4.272 578 2HB LEU 75 3HB LEU 75 3.016 -10.204 3.184 579 HG LEU 75 HG LEU 75 3.188 -7.282 3.975 580 1HD1 LEU 75 1HD1 LEU 75 4.990 -7.928 5.478 581 2HD1 LEU 75 2HD1 LEU 75 3.548 -8.849 5.903 582 3HD1 LEU 75 3HD1 LEU 75 4.846 -9.615 4.985 583 1HD2 LEU 75 1HD2 LEU 75 5.568 -7.649 3.099 584 2HD2 LEU 75 2HD2 LEU 75 4.983 -9.174 2.431 585 3HD2 LEU 75 3HD2 LEU 75 4.294 -7.647 1.881 586 HA PRO 76 HA PRO 76 3.740 -11.483 -0.394 587 1HB PRO 76 2HB PRO 76 1.336 -12.679 -1.453 588 2HB PRO 76 3HB PRO 76 2.623 -13.442 -0.506 589 1HG PRO 76 2HG PRO 76 0.010 -12.464 0.353 590 2HG PRO 76 3HG PRO 76 1.094 -13.619 1.132 591 1HD PRO 76 2HD PRO 76 0.667 -11.117 2.121 592 2HD PRO 76 3HD PRO 76 2.211 -11.973 2.330 593 H LYS 77 H LYS 77 0.728 -9.729 -0.998 594 HA LYS 77 HA LYS 77 1.288 -9.382 -3.831 595 1HB LYS 77 2HB LYS 77 -0.855 -8.338 -1.982 596 2HB LYS 77 3HB LYS 77 -0.715 -7.799 -3.654 597 1HG LYS 77 2HG LYS 77 -2.136 -9.576 -3.986 598 2HG LYS 77 3HG LYS 77 -0.607 -10.452 -4.075 599 1HD LYS 77 2HD LYS 77 -0.787 -10.875 -1.602 600 2HD LYS 77 3HD LYS 77 -2.397 -10.160 -1.648 601 1HE LYS 77 2HE LYS 77 -1.512 -12.554 -3.286 602 2HE LYS 77 3HE LYS 77 -2.472 -12.639 -1.813 603 1HZ LYS 77 1HZ LYS 77 -4.308 -11.974 -2.875 604 2HZ LYS 77 1HZ LYS 77 -3.491 -12.458 -4.284 605 3HZ LYS 77 3HZ LYS 77 -3.491 -10.825 -3.815 606 H VAL 78 H VAL 78 1.084 -7.259 -0.967 607 HA VAL 78 HA VAL 78 1.744 -4.828 -2.020 608 HB VAL 78 HB VAL 78 2.908 -5.968 0.536 609 1HG1 VAL 78 1HG1 VAL 78 4.001 -3.915 0.118 610 2HG1 VAL 78 2HG1 VAL 78 2.552 -3.181 -0.569 611 3HG1 VAL 78 3HG1 VAL 78 2.660 -3.464 1.168 612 1HG2 VAL 78 1HG2 VAL 78 0.301 -4.479 0.062 613 2HG2 VAL 78 2HG2 VAL 78 0.432 -6.202 0.397 614 3HG2 VAL 78 3HG2 VAL 78 0.913 -5.034 1.624 615 H GLU 79 H GLU 79 4.119 -7.257 -0.906 616 HA GLU 79 HA GLU 79 6.443 -5.917 -1.639 617 1HB GLU 79 2HB GLU 79 6.264 -8.069 -0.321 618 2HB GLU 79 3HB GLU 79 6.047 -8.907 -1.856 619 1HG GLU 79 2HG GLU 79 8.364 -9.065 -1.494 620 2HG GLU 79 3HG GLU 79 8.229 -7.683 -2.580 621 H ALA 80 H ALA 80 4.334 -7.999 -3.577 622 HA ALA 80 HA ALA 80 5.820 -8.325 -5.872 623 1HB ALA 80 1HB ALA 80 3.820 -8.820 -6.983 624 2HB ALA 80 2HB ALA 80 3.440 -9.166 -5.295 625 3HB ALA 80 3HB ALA 80 2.892 -7.660 -6.034 626 H VAL 81 H VAL 81 4.146 -5.441 -4.777 627 HA VAL 81 HA VAL 81 4.162 -3.966 -7.177 628 HB VAL 81 HB VAL 81 4.477 -2.832 -4.389 629 1HG1 VAL 81 1HG1 VAL 81 2.927 -1.664 -6.695 630 2HG1 VAL 81 2HG1 VAL 81 3.580 -0.845 -5.278 631 3HG1 VAL 81 3HG1 VAL 81 4.663 -1.399 -6.556 632 1HG2 VAL 81 1HG2 VAL 81 2.529 -4.592 -4.989 633 2HG2 VAL 81 2HG2 VAL 81 2.246 -3.194 -3.956 634 3HG2 VAL 81 3HG2 VAL 81 1.794 -3.137 -5.658 635 H PHE 82 H PHE 82 6.408 -3.706 -4.404 636 HA PHE 82 HA PHE 82 8.334 -2.282 -6.053 637 1HB PHE 82 2HB PHE 82 8.939 -3.204 -3.266 638 2HB PHE 82 3HB PHE 82 9.419 -1.717 -4.083 639 HD1 PHE 82 HD1 PHE 82 6.732 -3.435 -2.251 640 HD2 PHE 82 HD2 PHE 82 7.868 0.172 -4.288 641 HE1 PHE 82 HE1 PHE 82 4.784 -2.263 -1.266 642 HE2 PHE 82 HE2 PHE 82 5.917 1.341 -3.304 643 HZ PHE 82 HZ PHE 82 4.373 0.120 -1.797 644 H GLU 83 H GLU 83 7.923 -4.823 -7.078 645 HA GLU 83 HA GLU 83 10.609 -5.859 -6.998 646 1HB GLU 83 2HB GLU 83 8.673 -7.024 -5.249 647 2HB GLU 83 3HB GLU 83 9.021 -8.184 -6.528 648 1HG GLU 83 2HG GLU 83 11.153 -6.746 -4.913 649 2HG GLU 83 3HG GLU 83 10.560 -8.363 -4.541 650 H LEU 84 H LEU 84 7.280 -6.143 -8.092 651 HA LEU 84 HA LEU 84 6.356 -7.069 -10.008 652 1HB LEU 84 2HB LEU 84 8.655 -5.338 -10.893 653 2HB LEU 84 3HB LEU 84 7.644 -6.155 -12.081 654 HG LEU 84 HG LEU 84 6.358 -4.569 -9.878 655 1HD1 LEU 84 1HD1 LEU 84 6.440 -2.560 -11.267 656 2HD1 LEU 84 2HD1 LEU 84 8.084 -3.105 -10.945 657 3HD1 LEU 84 3HD1 LEU 84 7.340 -3.422 -12.514 658 1HD2 LEU 84 1HD2 LEU 84 5.473 -4.738 -12.744 659 2HD2 LEU 84 2HD2 LEU 84 5.234 -6.134 -11.693 660 3HD2 LEU 84 3HD2 LEU 84 4.497 -4.586 -11.283 661 H GLU 85 H GLU 85 7.506 -9.145 -8.900 662 HA GLU 85 HA GLU 85 8.691 -11.113 -9.173 663 1HB GLU 85 2HB GLU 85 7.705 -10.723 -12.009 664 2HB GLU 85 3HB GLU 85 8.164 -12.252 -11.269 665 1HG GLU 85 2HG GLU 85 5.818 -12.237 -11.064 666 2HG GLU 85 3HG GLU 85 6.370 -11.695 -9.481 667 H HIS 86 H HIS 86 9.867 -11.995 -11.740 668 HA HIS 86 HA HIS 86 12.295 -10.302 -11.706 669 1HB HIS 86 2HB HIS 86 12.213 -13.217 -12.488 670 2HB HIS 86 3HB HIS 86 13.620 -12.232 -12.085 671 HD1 HIS 86 HD1 HIS 86 13.746 -11.396 -9.523 672 HD2 HIS 86 HD2 HIS 86 11.042 -14.472 -10.289 673 HE1 HIS 86 HE1 HIS 86 13.142 -12.394 -7.275 674 H HIS 87 H HIS 87 12.805 -9.307 -13.545 675 HA HIS 87 HA HIS 87 12.093 -10.474 -16.129 676 1HB HIS 87 2HB HIS 87 10.916 -7.921 -15.044 677 2HB HIS 87 3HB HIS 87 11.116 -8.157 -16.776 678 HD1 HIS 87 HD1 HIS 87 10.276 -10.933 -17.311 679 HD2 HIS 87 HD2 HIS 87 8.323 -8.627 -14.439 680 HE1 HIS 87 HE1 HIS 87 7.988 -11.967 -16.999 681 H HIS 88 H HIS 88 12.614 -8.386 -17.763 682 HA HIS 88 HA HIS 88 15.481 -7.961 -17.331 683 1HB HIS 88 2HB HIS 88 15.367 -7.158 -19.742 684 2HB HIS 88 3HB HIS 88 14.963 -8.855 -19.484 685 HD1 HIS 88 HD1 HIS 88 12.294 -6.634 -18.335 686 HD2 HIS 88 HD2 HIS 88 13.346 -8.418 -21.955 687 HE1 HIS 88 HE1 HIS 88 10.241 -6.522 -19.811 688 H HIS 89 H HIS 89 14.519 -6.419 -15.530 689 HA HIS 89 HA HIS 89 13.408 -3.932 -16.240 690 1HB HIS 89 2HB HIS 89 13.419 -4.720 -13.925 691 2HB HIS 89 3HB HIS 89 15.180 -4.650 -13.885 692 HD1 HIS 89 HD1 HIS 89 12.843 -2.038 -15.355 693 HD2 HIS 89 HD2 HIS 89 15.545 -2.446 -12.203 694 HE1 HIS 89 HE1 HIS 89 13.100 0.262 -14.329 695 H HIS 90 H HIS 90 16.391 -3.479 -14.608 696 HA HIS 90 HA HIS 90 17.657 -2.394 -17.047 697 1HB HIS 90 2HB HIS 90 17.304 -1.050 -14.362 698 2HB HIS 90 3HB HIS 90 18.522 -0.532 -15.526 699 HD1 HIS 90 HD1 HIS 90 15.867 -1.649 -17.573 700 HD2 HIS 90 HD2 HIS 90 16.439 1.779 -15.267 701 HE1 HIS 90 HE1 HIS 90 14.264 0.094 -18.470 702 H HIS 91 H HIS 91 18.006 -3.634 -13.767 703 HA HIS 91 HA HIS 91 20.674 -4.648 -14.476 704 1HB HIS 91 2HB HIS 91 20.878 -2.471 -13.190 705 2HB HIS 91 3HB HIS 91 20.122 -3.295 -11.826 706 HD1 HIS 91 HD1 HIS 91 22.652 -4.820 -14.207 707 HD2 HIS 91 HD2 HIS 91 22.372 -3.662 -10.214 708 HE1 HIS 91 HE1 HIS 91 24.759 -5.651 -13.073 Start of MODEL 3 1 1H MET 1 1HT MET 1 13.990 1.154 -4.135 2 2H MET 1 2HT MET 1 14.198 2.804 -4.475 3 3H MET 1 3HT MET 1 13.448 1.789 -5.612 4 HA MET 1 HA MET 1 12.391 2.827 -3.065 5 1HB MET 1 2HB MET 1 11.382 2.639 -5.920 6 2HB MET 1 3HB MET 1 10.406 3.225 -4.573 7 1HG MET 1 2HG MET 1 12.031 5.013 -4.140 8 2HG MET 1 3HG MET 1 13.059 4.413 -5.443 9 1HE MET 1 1HE MET 1 12.928 4.902 -7.722 10 2HE MET 1 2HE MET 1 11.508 5.372 -8.653 11 3HE MET 1 3HE MET 1 11.574 3.779 -7.905 12 H LYS 2 H LYS 2 12.827 0.577 -2.203 13 HA LYS 2 HA LYS 2 10.500 -1.158 -2.775 14 1HB LYS 2 2HB LYS 2 13.319 -2.091 -2.167 15 2HB LYS 2 3HB LYS 2 11.916 -3.127 -2.433 16 1HG LYS 2 2HG LYS 2 11.701 -1.945 -4.718 17 2HG LYS 2 3HG LYS 2 13.339 -1.358 -4.427 18 1HD LYS 2 2HD LYS 2 12.737 -4.287 -4.102 19 2HD LYS 2 3HD LYS 2 12.989 -3.624 -5.717 20 1HE LYS 2 2HE LYS 2 14.943 -3.082 -3.482 21 2HE LYS 2 3HE LYS 2 15.064 -4.534 -4.474 22 1HZ LYS 2 1HZ LYS 2 14.785 -2.707 -6.364 23 2HZ LYS 2 1HZ LYS 2 16.300 -3.163 -5.746 24 3HZ LYS 2 3HZ LYS 2 15.540 -1.751 -5.184 25 H ILE 3 H ILE 3 10.812 -3.026 -0.843 26 HA ILE 3 HA ILE 3 10.176 -1.536 1.563 27 HB ILE 3 HB ILE 3 10.255 -4.513 1.001 28 1HG1 ILE 3 2HG1 ILE 3 7.803 -2.823 1.471 29 2HG1 ILE 3 3HG1 ILE 3 8.521 -2.909 -0.136 30 1HG2 ILE 3 1HG2 ILE 3 8.822 -4.531 3.134 31 2HG2 ILE 3 2HG2 ILE 3 10.550 -4.262 3.349 32 3HG2 ILE 3 3HG2 ILE 3 9.431 -2.903 3.425 33 1HD1 ILE 3 1HD1 ILE 3 7.757 -5.352 1.486 34 2HD1 ILE 3 2HD1 ILE 3 6.708 -4.618 0.276 35 3HD1 ILE 3 3HD1 ILE 3 8.258 -5.309 -0.204 36 H ILE 4 H ILE 4 11.539 -1.102 3.176 37 HA ILE 4 HA ILE 4 14.151 -2.488 3.222 38 HB ILE 4 HB ILE 4 13.300 0.298 3.969 39 1HG1 ILE 4 2HG1 ILE 4 15.430 0.778 2.687 40 2HG1 ILE 4 3HG1 ILE 4 15.528 -0.943 2.331 41 1HG2 ILE 4 1HG2 ILE 4 14.472 -0.290 5.943 42 2HG2 ILE 4 2HG2 ILE 4 15.632 -1.283 5.060 43 3HG2 ILE 4 3HG2 ILE 4 15.693 0.475 4.926 44 1HD1 ILE 4 1HD1 ILE 4 13.709 -0.897 0.909 45 2HD1 ILE 4 2HD1 ILE 4 12.956 0.458 1.746 46 3HD1 ILE 4 3HD1 ILE 4 14.317 0.738 0.661 47 H SER 5 H SER 5 11.803 -0.972 5.456 48 HA SER 5 HA SER 5 11.666 -3.254 7.156 49 1HB SER 5 2HB SER 5 12.786 -2.259 9.135 50 2HB SER 5 3HB SER 5 13.912 -2.580 7.820 51 HG SER 5 HG SER 5 12.765 -0.116 8.617 52 H ILE 6 H ILE 6 10.079 -3.043 8.733 53 HA ILE 6 HA ILE 6 8.320 -0.730 8.390 54 HB ILE 6 HB ILE 6 7.872 -3.269 9.984 55 1HG1 ILE 6 2HG1 ILE 6 6.681 -2.663 7.279 56 2HG1 ILE 6 3HG1 ILE 6 8.274 -3.409 7.395 57 1HG2 ILE 6 1HG2 ILE 6 6.377 -1.526 10.706 58 2HG2 ILE 6 2HG2 ILE 6 6.062 -1.025 9.045 59 3HG2 ILE 6 3HG2 ILE 6 5.454 -2.574 9.631 60 1HD1 ILE 6 1HD1 ILE 6 7.440 -5.353 8.391 61 2HD1 ILE 6 2HD1 ILE 6 5.979 -4.551 8.968 62 3HD1 ILE 6 3HD1 ILE 6 6.153 -4.942 7.257 63 H SER 7 H SER 7 7.527 0.484 10.169 64 HA SER 7 HA SER 7 9.488 0.759 12.327 65 1HB SER 7 2HB SER 7 8.555 2.922 12.693 66 2HB SER 7 3HB SER 7 8.655 2.724 10.947 67 HG SER 7 HG SER 7 6.483 3.045 12.549 68 H GLU 8 H GLU 8 7.708 2.004 14.175 69 HA GLU 8 HA GLU 8 6.767 -0.292 15.577 70 1HB GLU 8 2HB GLU 8 6.073 2.555 16.270 71 2HB GLU 8 3HB GLU 8 6.293 1.183 17.347 72 1HG GLU 8 2HG GLU 8 8.448 2.630 15.786 73 2HG GLU 8 3HG GLU 8 8.251 2.588 17.537 74 H THR 9 H THR 9 4.614 -0.665 16.246 75 HA THR 9 HA THR 9 2.460 0.673 14.793 76 HB THR 9 HB THR 9 2.945 -0.964 13.174 77 HG1 THR 9 HG1 THR 9 0.814 -1.184 13.569 78 1HG2 THR 9 1HG2 THR 9 4.615 -2.247 14.226 79 2HG2 THR 9 2HG2 THR 9 3.556 -2.691 15.563 80 3HG2 THR 9 3HG2 THR 9 3.302 -3.396 13.967 81 HA PRO 10 HA PRO 10 1.508 -0.989 19.072 82 1HB PRO 10 2HB PRO 10 1.292 1.689 20.099 83 2HB PRO 10 3HB PRO 10 2.473 0.442 20.522 84 1HG PRO 10 2HG PRO 10 3.035 2.787 19.183 85 2HG PRO 10 3HG PRO 10 4.057 1.341 19.205 86 1HD PRO 10 2HD PRO 10 2.212 2.313 17.067 87 2HD PRO 10 3HD PRO 10 3.738 1.414 16.927 88 H ASN 11 H ASN 11 -0.056 0.091 16.622 89 HA ASN 11 HA ASN 11 -2.617 0.321 18.035 90 1HB ASN 11 2HB ASN 11 -1.853 2.635 17.530 91 2HB ASN 11 3HB ASN 11 -1.792 2.211 15.820 92 1HD2 ASN 11 2HD2 ASN 11 -4.169 1.872 18.534 93 2HD2 ASN 11 1HD2 ASN 11 -5.506 2.342 17.600 94 H HIS 12 H HIS 12 -0.717 -0.749 15.400 95 HA HIS 12 HA HIS 12 -1.152 -2.186 13.663 96 1HB HIS 12 2HB HIS 12 -2.604 -3.168 15.690 97 2HB HIS 12 3HB HIS 12 -3.925 -2.733 14.608 98 HD1 HIS 12 HD1 HIS 12 -0.491 -4.160 13.754 99 HD2 HIS 12 HD2 HIS 12 -4.526 -5.122 13.353 100 HE1 HIS 12 HE1 HIS 12 -0.587 -6.283 12.375 101 H ASN 13 H ASN 13 -3.665 -2.746 12.426 102 HA ASN 13 HA ASN 13 -5.155 -1.950 10.883 103 1HB ASN 13 2HB ASN 13 -4.674 0.812 12.015 104 2HB ASN 13 3HB ASN 13 -6.057 0.262 11.072 105 1HD2 ASN 13 2HD2 ASN 13 -6.957 -1.993 12.233 106 2HD2 ASN 13 1HD2 ASN 13 -7.277 -1.779 13.887 107 H THR 14 H THR 14 -2.442 0.353 11.298 108 HA THR 14 HA THR 14 -1.761 -0.054 8.482 109 HB THR 14 HB THR 14 -3.273 1.902 8.476 110 HG1 THR 14 HG1 THR 14 -1.503 3.417 7.729 111 1HG2 THR 14 1HG2 THR 14 -2.485 2.516 10.898 112 2HG2 THR 14 2HG2 THR 14 -1.216 3.413 10.063 113 3HG2 THR 14 3HG2 THR 14 -2.909 3.807 9.775 114 H MET 15 H MET 15 0.362 -0.233 8.197 115 HA MET 15 HA MET 15 2.140 0.672 10.388 116 1HB MET 15 2HB MET 15 3.013 -1.309 8.310 117 2HB MET 15 3HB MET 15 3.550 -1.125 9.980 118 1HG MET 15 2HG MET 15 1.170 -1.827 10.650 119 2HG MET 15 3HG MET 15 0.978 -2.336 8.974 120 1HE MET 15 1HE MET 15 2.567 -3.734 7.734 121 2HE MET 15 2HE MET 15 1.413 -4.889 8.395 122 3HE MET 15 3HE MET 15 3.132 -5.270 8.404 123 H LYS 16 H LYS 16 4.247 1.466 9.769 124 HA LYS 16 HA LYS 16 4.114 3.082 7.315 125 1HB LYS 16 2HB LYS 16 4.569 4.194 9.506 126 2HB LYS 16 3HB LYS 16 6.072 3.280 9.613 127 1HG LYS 16 2HG LYS 16 6.845 4.282 7.497 128 2HG LYS 16 3HG LYS 16 5.335 5.183 7.369 129 1HD LYS 16 2HD LYS 16 6.795 6.754 8.333 130 2HD LYS 16 3HD LYS 16 5.947 6.097 9.733 131 1HE LYS 16 2HE LYS 16 8.023 5.709 10.566 132 2HE LYS 16 3HE LYS 16 8.049 4.336 9.460 133 1HZ LYS 16 1HZ LYS 16 8.829 6.146 7.778 134 2HZ LYS 16 1HZ LYS 16 9.941 5.438 8.851 135 3HZ LYS 16 3HZ LYS 16 9.299 6.977 9.180 136 H ILE 17 H ILE 17 5.235 2.524 5.576 137 HA ILE 17 HA ILE 17 7.292 0.436 5.801 138 HB ILE 17 HB ILE 17 5.968 1.577 3.328 139 1HG1 ILE 17 2HG1 ILE 17 5.403 -1.073 4.684 140 2HG1 ILE 17 3HG1 ILE 17 4.455 0.376 5.015 141 1HG2 ILE 17 1HG2 ILE 17 8.049 0.560 2.730 142 2HG2 ILE 17 2HG2 ILE 17 7.802 -0.778 3.853 143 3HG2 ILE 17 3HG2 ILE 17 6.816 -0.655 2.395 144 1HD1 ILE 17 1HD1 ILE 17 3.428 -1.057 3.250 145 2HD1 ILE 17 2HD1 ILE 17 3.835 0.557 2.665 146 3HD1 ILE 17 3HD1 ILE 17 4.868 -0.814 2.258 147 H THR 18 H THR 18 9.364 0.966 5.775 148 HA THR 18 HA THR 18 10.194 3.664 5.058 149 HB THR 18 HB THR 18 11.775 1.298 6.098 150 HG1 THR 18 HG1 THR 18 11.187 1.981 7.984 151 1HG2 THR 18 1HG2 THR 18 12.498 4.177 5.544 152 2HG2 THR 18 2HG2 THR 18 13.400 3.199 6.701 153 3HG2 THR 18 3HG2 THR 18 13.331 2.718 5.007 154 H LEU 19 H LEU 19 11.177 4.235 3.201 155 HA LEU 19 HA LEU 19 11.708 2.114 1.221 156 1HB LEU 19 2HB LEU 19 11.452 5.102 0.800 157 2HB LEU 19 3HB LEU 19 11.588 3.876 -0.458 158 HG LEU 19 HG LEU 19 9.336 4.009 1.571 159 1HD1 LEU 19 1HD1 LEU 19 8.908 5.842 0.184 160 2HD1 LEU 19 2HD1 LEU 19 9.655 5.081 -1.221 161 3HD1 LEU 19 3HD1 LEU 19 8.068 4.547 -0.667 162 1HD2 LEU 19 1HD2 LEU 19 9.521 1.762 0.869 163 2HD2 LEU 19 2HD2 LEU 19 8.323 2.434 -0.235 164 3HD2 LEU 19 3HD2 LEU 19 9.990 2.217 -0.769 165 H SER 20 H SER 20 13.538 2.792 -0.359 166 HA SER 20 HA SER 20 15.976 2.781 1.084 167 1HB SER 20 2HB SER 20 17.048 2.862 -1.099 168 2HB SER 20 3HB SER 20 15.674 1.762 -1.162 169 HG SER 20 HG SER 20 15.887 4.413 -2.135 170 H GLU 21 H GLU 21 13.903 5.315 0.482 171 HA GLU 21 HA GLU 21 14.058 7.584 0.769 172 1HB GLU 21 2HB GLU 21 16.936 7.202 1.608 173 2HB GLU 21 3HB GLU 21 15.827 8.493 2.067 174 1HG GLU 21 2HG GLU 21 14.383 6.511 3.034 175 2HG GLU 21 3HG GLU 21 15.921 5.649 3.026 176 H SER 22 H SER 22 14.295 9.142 -0.726 177 HA SER 22 HA SER 22 16.667 9.198 -2.431 178 1HB SER 22 2HB SER 22 15.082 7.677 -3.583 179 2HB SER 22 3HB SER 22 13.881 8.964 -3.591 180 HG SER 22 HG SER 22 15.784 8.537 -5.344 181 H ARG 23 H ARG 23 17.325 11.220 -2.383 182 HA ARG 23 HA ARG 23 17.305 13.507 -2.024 183 1HB ARG 23 2HB ARG 23 15.418 12.987 -4.311 184 2HB ARG 23 3HB ARG 23 15.794 14.632 -3.795 185 1HG ARG 23 2HG ARG 23 18.061 12.721 -4.238 186 2HG ARG 23 3HG ARG 23 17.265 13.426 -5.645 187 1HD ARG 23 2HD ARG 23 17.671 15.685 -4.763 188 2HD ARG 23 3HD ARG 23 18.431 14.999 -3.330 189 HE ARG 23 HE ARG 23 20.302 14.389 -4.654 190 1HH1 ARG 23 1HH2 ARG 23 19.787 17.198 -5.704 191 2HH1 ARG 23 2HH2 ARG 23 19.886 16.957 -7.416 192 1HH2 ARG 23 1HH1 ARG 23 19.557 13.511 -7.217 193 2HH2 ARG 23 2HH1 ARG 23 19.755 14.869 -8.273 194 H GLU 24 H GLU 24 16.493 13.715 0.067 195 HA GLU 24 HA GLU 24 15.034 14.338 1.724 196 1HB GLU 24 2HB GLU 24 14.191 15.951 -0.665 197 2HB GLU 24 3HB GLU 24 13.285 16.074 0.843 198 1HG GLU 24 2HG GLU 24 15.302 16.695 2.061 199 2HG GLU 24 3HG GLU 24 16.286 16.449 0.620 200 H GLY 25 H GLY 25 12.479 14.679 -0.648 201 1HA GLY 25 1HA GLY 25 11.318 12.079 -0.057 202 2HA GLY 25 2HA GLY 25 10.444 13.454 0.614 203 H MET 26 H MET 26 8.699 12.665 -0.786 204 HA MET 26 HA MET 26 8.809 13.993 -3.393 205 1HB MET 26 2HB MET 26 7.474 11.785 -4.170 206 2HB MET 26 3HB MET 26 9.218 11.959 -4.354 207 1HG MET 26 2HG MET 26 9.574 10.796 -2.213 208 2HG MET 26 3HG MET 26 7.831 10.644 -1.997 209 1HE MET 26 1HE MET 26 9.146 7.948 -1.723 210 2HE MET 26 2HE MET 26 10.572 8.764 -2.360 211 3HE MET 26 3HE MET 26 9.992 7.290 -3.131 212 H THR 27 H THR 27 7.473 15.474 -2.214 213 HA THR 27 HA THR 27 5.517 16.298 -1.304 214 HB THR 27 HB THR 27 5.204 16.340 -3.778 215 HG1 THR 27 HG1 THR 27 3.462 16.660 -1.888 216 1HG2 THR 27 1HG2 THR 27 3.566 14.647 -4.701 217 2HG2 THR 27 2HG2 THR 27 5.160 13.998 -4.325 218 3HG2 THR 27 3HG2 THR 27 3.809 13.705 -3.231 219 H SER 28 H SER 28 2.865 15.102 -1.700 220 HA SER 28 HA SER 28 2.876 12.611 -0.222 221 1HB SER 28 2HB SER 28 1.429 13.636 1.607 222 2HB SER 28 3HB SER 28 3.141 14.044 1.663 223 HG SER 28 HG SER 28 2.625 15.991 0.584 224 H ASP 29 H ASP 29 0.970 11.492 -0.453 225 HA ASP 29 HA ASP 29 -1.437 12.810 -1.397 226 1HB ASP 29 2HB ASP 29 0.278 11.117 -3.186 227 2HB ASP 29 3HB ASP 29 -1.473 11.106 -3.386 228 H THR 30 H THR 30 -3.223 11.709 -0.812 229 HA THR 30 HA THR 30 -2.836 9.107 0.513 230 HB THR 30 HB THR 30 -5.353 10.771 0.591 231 HG1 THR 30 HG1 THR 30 -3.879 12.180 1.333 232 1HG2 THR 30 1HG2 THR 30 -5.388 8.432 1.445 233 2HG2 THR 30 2HG2 THR 30 -4.085 8.845 2.562 234 3HG2 THR 30 3HG2 THR 30 -5.663 9.616 2.724 235 H TYR 31 H TYR 31 -3.580 7.281 -0.377 236 HA TYR 31 HA TYR 31 -5.370 7.508 -2.718 237 1HB TYR 31 2HB TYR 31 -3.378 5.322 -2.064 238 2HB TYR 31 3HB TYR 31 -4.361 5.441 -3.524 239 HD1 TYR 31 HD1 TYR 31 -4.201 7.870 -4.710 240 HD2 TYR 31 HD2 TYR 31 -1.184 6.104 -2.212 241 HE1 TYR 31 HE1 TYR 31 -2.483 9.322 -5.757 242 HE2 TYR 31 HE2 TYR 31 0.532 7.557 -3.259 243 HH TYR 31 HH TYR 31 -0.237 10.240 -5.155 244 H THR 32 H THR 32 -7.366 6.857 -2.365 245 HA THR 32 HA THR 32 -7.850 4.644 -0.461 246 HB THR 32 HB THR 32 -9.822 5.721 0.329 247 HG1 THR 32 HG1 THR 32 -10.689 7.482 -0.667 248 1HG2 THR 32 1HG2 THR 32 -8.957 7.693 1.349 249 2HG2 THR 32 2HG2 THR 32 -7.557 6.653 1.088 250 3HG2 THR 32 3HG2 THR 32 -7.868 8.005 -0.003 251 H LYS 33 H LYS 33 -8.159 5.834 -3.611 252 HA LYS 33 HA LYS 33 -9.723 3.522 -4.420 253 1HB LYS 33 2HB LYS 33 -11.331 5.009 -5.718 254 2HB LYS 33 3HB LYS 33 -11.556 4.988 -3.969 255 1HG LYS 33 2HG LYS 33 -10.429 7.098 -3.712 256 2HG LYS 33 3HG LYS 33 -9.883 7.078 -5.390 257 1HD LYS 33 2HD LYS 33 -12.257 7.175 -6.135 258 2HD LYS 33 3HD LYS 33 -12.759 7.287 -4.447 259 1HE LYS 33 2HE LYS 33 -10.912 9.253 -5.839 260 2HE LYS 33 3HE LYS 33 -12.628 9.521 -5.539 261 1HZ LYS 33 1HZ LYS 33 -11.508 10.548 -3.774 262 2HZ LYS 33 1HZ LYS 33 -10.448 9.238 -3.557 263 3HZ LYS 33 3HZ LYS 33 -12.086 9.091 -3.127 264 H VAL 34 H VAL 34 -7.028 4.544 -4.829 265 HA VAL 34 HA VAL 34 -5.483 4.512 -6.519 266 HB VAL 34 HB VAL 34 -7.869 4.146 -8.339 267 1HG1 VAL 34 1HG1 VAL 34 -6.101 4.905 -9.712 268 2HG1 VAL 34 2HG1 VAL 34 -4.887 4.041 -8.769 269 3HG1 VAL 34 3HG1 VAL 34 -5.991 3.149 -9.816 270 1HG2 VAL 34 1HG2 VAL 34 -7.383 1.794 -8.254 271 2HG2 VAL 34 2HG2 VAL 34 -5.888 2.075 -7.363 272 3HG2 VAL 34 3HG2 VAL 34 -7.445 2.351 -6.581 273 H ASP 35 H ASP 35 -4.764 5.863 -8.407 274 HA ASP 35 HA ASP 35 -6.227 8.327 -8.868 275 1HB ASP 35 2HB ASP 35 -5.104 8.805 -6.732 276 2HB ASP 35 3HB ASP 35 -3.553 8.366 -7.441 277 H ASP 36 H ASP 36 -2.880 8.754 -9.132 278 HA ASP 36 HA ASP 36 -2.417 7.449 -11.638 279 1HB ASP 36 2HB ASP 36 -4.002 9.342 -12.258 280 2HB ASP 36 3HB ASP 36 -2.718 10.451 -11.783 281 H SER 37 H SER 37 -1.595 10.103 -9.459 282 HA SER 37 HA SER 37 1.048 10.556 -10.265 283 1HB SER 37 2HB SER 37 -0.376 11.876 -8.585 284 2HB SER 37 3HB SER 37 0.125 10.680 -7.394 285 HG SER 37 HG SER 37 1.487 12.589 -7.573 286 H GLN 38 H GLN 38 -0.376 8.067 -8.274 287 HA GLN 38 HA GLN 38 2.143 7.032 -7.305 288 1HB GLN 38 2HB GLN 38 0.840 5.419 -6.161 289 2HB GLN 38 3HB GLN 38 -0.145 6.879 -6.147 290 1HG GLN 38 2HG GLN 38 -1.034 5.844 -8.450 291 2HG GLN 38 3HG GLN 38 -0.535 4.344 -7.674 292 1HE2 GLN 38 2HE2 GLN 38 -1.186 4.937 -4.972 293 2HE2 GLN 38 1HE2 GLN 38 -2.866 5.129 -4.848 294 HA PRO 39 HA PRO 39 3.206 4.385 -10.657 295 1HB PRO 39 2HB PRO 39 3.744 2.063 -9.050 296 2HB PRO 39 3HB PRO 39 4.904 3.197 -9.752 297 1HG PRO 39 2HG PRO 39 4.121 2.913 -7.027 298 2HG PRO 39 3HG PRO 39 5.316 4.013 -7.722 299 1HD PRO 39 2HD PRO 39 2.750 4.681 -6.657 300 2HD PRO 39 3HD PRO 39 3.914 5.769 -7.436 301 H ALA 40 H ALA 40 2.112 3.012 -12.025 302 HA ALA 40 HA ALA 40 -0.516 2.284 -11.657 303 1HB ALA 40 1HB ALA 40 0.898 2.152 -13.795 304 2HB ALA 40 2HB ALA 40 1.388 0.554 -13.230 305 3HB ALA 40 3HB ALA 40 -0.312 0.891 -13.558 306 H PHE 41 H PHE 41 2.389 0.466 -10.836 307 HA PHE 41 HA PHE 41 1.272 -1.977 -10.115 308 1HB PHE 41 2HB PHE 41 3.537 -0.693 -8.594 309 2HB PHE 41 3HB PHE 41 3.281 -2.404 -8.943 310 HD1 PHE 41 HD1 PHE 41 2.967 -2.877 -11.604 311 HD2 PHE 41 HD2 PHE 41 5.153 0.388 -9.867 312 HE1 PHE 41 HE1 PHE 41 4.272 -2.638 -13.697 313 HE2 PHE 41 HE2 PHE 41 6.458 0.627 -11.960 314 HZ PHE 41 HZ PHE 41 6.017 -0.886 -13.876 315 H ILE 42 H ILE 42 1.774 0.926 -8.099 316 HA ILE 42 HA ILE 42 0.815 -0.098 -5.685 317 HB ILE 42 HB ILE 42 1.073 2.633 -6.859 318 1HG1 ILE 42 2HG1 ILE 42 2.869 1.307 -5.597 319 2HG1 ILE 42 3HG1 ILE 42 2.568 2.948 -5.031 320 1HG2 ILE 42 1HG2 ILE 42 -0.549 1.994 -4.376 321 2HG2 ILE 42 2HG2 ILE 42 0.076 3.596 -4.760 322 3HG2 ILE 42 3HG2 ILE 42 -1.107 2.834 -5.821 323 1HD1 ILE 42 1HD1 ILE 42 0.926 0.808 -3.780 324 2HD1 ILE 42 2HD1 ILE 42 2.641 0.821 -3.370 325 3HD1 ILE 42 3HD1 ILE 42 1.647 2.244 -3.054 326 H ASN 43 H ASN 43 -0.912 0.912 -8.556 327 HA ASN 43 HA ASN 43 -3.467 1.280 -7.413 328 1HB ASN 43 2HB ASN 43 -2.834 0.216 -10.176 329 2HB ASN 43 3HB ASN 43 -4.329 0.975 -9.656 330 1HD2 ASN 43 2HD2 ASN 43 -2.200 2.785 -8.000 331 2HD2 ASN 43 1HD2 ASN 43 -1.836 3.975 -9.154 332 H ASP 44 H ASP 44 -1.812 -1.578 -8.728 333 HA ASP 44 HA ASP 44 -3.912 -3.418 -8.488 334 1HB ASP 44 2HB ASP 44 -2.363 -4.875 -9.209 335 2HB ASP 44 3HB ASP 44 -1.215 -3.541 -9.194 336 H ILE 45 H ILE 45 -1.622 -2.218 -6.087 337 HA ILE 45 HA ILE 45 -2.233 -4.014 -3.992 338 HB ILE 45 HB ILE 45 -1.374 -1.117 -3.759 339 1HG1 ILE 45 2HG1 ILE 45 0.224 -3.668 -4.132 340 2HG1 ILE 45 3HG1 ILE 45 0.157 -2.290 -5.230 341 1HG2 ILE 45 1HG2 ILE 45 -0.889 -3.452 -1.891 342 2HG2 ILE 45 2HG2 ILE 45 -0.509 -1.756 -1.599 343 3HG2 ILE 45 3HG2 ILE 45 -2.189 -2.283 -1.673 344 1HD1 ILE 45 1HD1 ILE 45 2.053 -1.645 -4.134 345 2HD1 ILE 45 2HD1 ILE 45 0.918 -1.050 -2.924 346 3HD1 ILE 45 3HD1 ILE 45 1.684 -2.625 -2.714 347 H LEU 46 H LEU 46 -3.488 -0.794 -4.761 348 HA LEU 46 HA LEU 46 -5.292 -0.509 -2.661 349 1HB LEU 46 2HB LEU 46 -5.248 0.575 -5.470 350 2HB LEU 46 3HB LEU 46 -6.543 0.985 -4.342 351 HG LEU 46 HG LEU 46 -3.611 1.303 -3.650 352 1HD1 LEU 46 1HD1 LEU 46 -3.684 3.564 -4.319 353 2HD1 LEU 46 2HD1 LEU 46 -4.453 2.707 -5.655 354 3HD1 LEU 46 3HD1 LEU 46 -5.440 3.560 -4.466 355 1HD2 LEU 46 1HD2 LEU 46 -4.681 2.954 -2.003 356 2HD2 LEU 46 2HD2 LEU 46 -6.229 2.233 -2.445 357 3HD2 LEU 46 3HD2 LEU 46 -4.978 1.244 -1.691 358 H LYS 47 H LYS 47 -5.578 -2.306 -5.658 359 HA LYS 47 HA LYS 47 -8.407 -2.781 -5.350 360 1HB LYS 47 2HB LYS 47 -6.312 -3.958 -7.183 361 2HB LYS 47 3HB LYS 47 -8.022 -4.396 -7.244 362 1HG LYS 47 2HG LYS 47 -8.682 -2.203 -7.852 363 2HG LYS 47 3HG LYS 47 -7.135 -1.511 -7.361 364 1HD LYS 47 2HD LYS 47 -5.998 -2.491 -9.224 365 2HD LYS 47 3HD LYS 47 -7.381 -3.514 -9.613 366 1HE LYS 47 2HE LYS 47 -8.708 -1.575 -10.235 367 2HE LYS 47 3HE LYS 47 -7.424 -0.485 -9.713 368 1HZ LYS 47 1HZ LYS 47 -6.497 -0.669 -11.697 369 2HZ LYS 47 1HZ LYS 47 -7.747 -1.701 -12.207 370 3HZ LYS 47 3HZ LYS 47 -6.342 -2.346 -11.503 371 H VAL 48 H VAL 48 -5.753 -3.984 -3.720 372 HA VAL 48 HA VAL 48 -6.590 -6.745 -3.491 373 HB VAL 48 HB VAL 48 -4.627 -5.152 -1.811 374 1HG1 VAL 48 1HG1 VAL 48 -3.776 -7.512 -1.307 375 2HG1 VAL 48 2HG1 VAL 48 -5.302 -7.066 -0.547 376 3HG1 VAL 48 3HG1 VAL 48 -5.298 -8.099 -1.975 377 1HG2 VAL 48 1HG2 VAL 48 -2.911 -6.125 -3.197 378 2HG2 VAL 48 2HG2 VAL 48 -4.083 -7.153 -4.022 379 3HG2 VAL 48 3HG2 VAL 48 -4.102 -5.411 -4.279 380 H GLU 49 H GLU 49 -8.571 -7.032 -2.600 381 HA GLU 49 HA GLU 49 -9.941 -5.454 -0.821 382 1HB GLU 49 2HB GLU 49 -9.929 -8.462 -1.104 383 2HB GLU 49 3HB GLU 49 -11.070 -7.601 -0.070 384 1HG GLU 49 2HG GLU 49 -11.985 -6.398 -1.934 385 2HG GLU 49 3HG GLU 49 -10.701 -6.953 -3.006 386 H GLY 50 H GLY 50 -9.224 -4.616 1.015 387 1HA GLY 50 1HA GLY 50 -8.982 -5.259 3.431 388 2HA GLY 50 2HA GLY 50 -7.698 -6.332 2.885 389 H VAL 51 H VAL 51 -7.694 -3.578 1.000 390 HA VAL 51 HA VAL 51 -5.259 -2.639 2.225 391 HB VAL 51 HB VAL 51 -5.857 -0.693 0.375 392 1HG1 VAL 51 1HG1 VAL 51 -4.320 -3.270 -0.017 393 2HG1 VAL 51 2HG1 VAL 51 -4.094 -1.774 -0.923 394 3HG1 VAL 51 3HG1 VAL 51 -3.717 -1.828 0.797 395 1HG2 VAL 51 1HG2 VAL 51 -7.605 -2.807 -0.262 396 2HG2 VAL 51 2HG2 VAL 51 -7.153 -1.454 -1.276 397 3HG2 VAL 51 3HG2 VAL 51 -6.255 -2.961 -1.379 398 H LYS 52 H LYS 52 -8.564 -1.697 2.473 399 HA LYS 52 HA LYS 52 -9.632 0.040 3.502 400 1HB LYS 52 2HB LYS 52 -8.696 -0.814 5.517 401 2HB LYS 52 3HB LYS 52 -7.104 -0.157 5.139 402 1HG LYS 52 2HG LYS 52 -7.651 1.934 5.868 403 2HG LYS 52 3HG LYS 52 -9.275 1.851 5.191 404 1HD LYS 52 2HD LYS 52 -8.514 0.246 7.631 405 2HD LYS 52 3HD LYS 52 -9.062 1.915 7.765 406 1HE LYS 52 2HE LYS 52 -10.616 -0.250 6.322 407 2HE LYS 52 3HE LYS 52 -10.909 0.211 7.997 408 1HZ LYS 52 1HZ LYS 52 -10.799 2.515 6.366 409 2HZ LYS 52 1HZ LYS 52 -12.083 1.945 7.323 410 3HZ LYS 52 3HZ LYS 52 -11.918 1.418 5.716 411 H SER 53 H SER 53 -6.202 1.019 3.499 412 HA SER 53 HA SER 53 -6.575 3.065 1.544 413 1HB SER 53 2HB SER 53 -6.936 4.977 2.733 414 2HB SER 53 3HB SER 53 -7.733 3.861 3.836 415 HG SER 53 HG SER 53 -5.581 3.677 4.842 416 H ILE 54 H ILE 54 -4.705 4.540 1.391 417 HA ILE 54 HA ILE 54 -2.248 3.567 2.680 418 HB ILE 54 HB ILE 54 -2.595 3.887 -0.321 419 1HG1 ILE 54 2HG1 ILE 54 -1.967 1.416 1.334 420 2HG1 ILE 54 3HG1 ILE 54 -3.554 1.784 0.658 421 1HG2 ILE 54 1HG2 ILE 54 -0.220 2.964 -0.306 422 2HG2 ILE 54 2HG2 ILE 54 -0.391 4.617 0.281 423 3HG2 ILE 54 3HG2 ILE 54 -0.193 3.292 1.427 424 1HD1 ILE 54 1HD1 ILE 54 -1.000 1.130 -0.811 425 2HD1 ILE 54 2HD1 ILE 54 -2.575 0.350 -0.946 426 3HD1 ILE 54 3HD1 ILE 54 -2.329 1.962 -1.616 427 H PHE 55 H PHE 55 -0.597 5.156 2.769 428 HA PHE 55 HA PHE 55 -1.321 7.842 1.791 429 1HB PHE 55 2HB PHE 55 -2.022 7.701 4.146 430 2HB PHE 55 3HB PHE 55 -0.392 7.208 4.602 431 HD1 PHE 55 HD1 PHE 55 0.939 8.895 5.495 432 HD2 PHE 55 HD2 PHE 55 -1.959 9.894 2.483 433 HE1 PHE 55 HE1 PHE 55 1.618 11.276 5.628 434 HE2 PHE 55 HE2 PHE 55 -1.278 12.274 2.616 435 HZ PHE 55 HZ PHE 55 0.510 12.965 4.189 436 H HIS 56 H HIS 56 0.262 8.495 0.517 437 HA HIS 56 HA HIS 56 3.016 7.573 1.013 438 1HB HIS 56 2HB HIS 56 2.200 7.177 -1.243 439 2HB HIS 56 3HB HIS 56 1.738 8.870 -1.408 440 HD1 HIS 56 HD1 HIS 56 3.383 9.539 -3.236 441 HD2 HIS 56 HD2 HIS 56 5.258 7.747 0.028 442 HE1 HIS 56 HE1 HIS 56 5.872 9.858 -3.575 443 H VAL 57 H VAL 57 4.582 8.953 1.669 444 HA VAL 57 HA VAL 57 4.441 11.788 1.230 445 HB VAL 57 HB VAL 57 2.862 11.697 3.063 446 1HG1 VAL 57 1HG1 VAL 57 3.330 9.601 4.091 447 2HG1 VAL 57 2HG1 VAL 57 5.013 10.035 4.385 448 3HG1 VAL 57 3HG1 VAL 57 3.728 10.814 5.306 449 1HG2 VAL 57 1HG2 VAL 57 4.725 13.470 2.992 450 2HG2 VAL 57 2HG2 VAL 57 3.906 13.246 4.537 451 3HG2 VAL 57 3HG2 VAL 57 5.500 12.542 4.276 452 H MET 58 H MET 58 6.347 12.888 1.862 453 HA MET 58 HA MET 58 8.641 13.034 1.900 454 1HB MET 58 2HB MET 58 7.987 12.837 4.315 455 2HB MET 58 3HB MET 58 8.338 11.112 4.217 456 1HG MET 58 2HG MET 58 10.619 11.448 4.012 457 2HG MET 58 3HG MET 58 10.428 13.031 3.260 458 1HE MET 58 1HE MET 58 12.302 14.437 5.334 459 2HE MET 58 2HE MET 58 12.488 12.783 4.758 460 3HE MET 58 3HE MET 58 12.540 13.118 6.487 461 H ASP 59 H ASP 59 9.316 10.008 3.341 462 HA ASP 59 HA ASP 59 9.932 8.792 0.725 463 1HB ASP 59 2HB ASP 59 12.093 7.969 1.742 464 2HB ASP 59 3HB ASP 59 12.031 9.698 1.419 465 H PHE 60 H PHE 60 7.958 8.439 3.087 466 HA PHE 60 HA PHE 60 8.314 5.514 3.246 467 1HB PHE 60 2HB PHE 60 7.425 5.556 5.555 468 2HB PHE 60 3HB PHE 60 8.961 6.407 5.419 469 HD1 PHE 60 HD1 PHE 60 5.335 6.765 5.933 470 HD2 PHE 60 HD2 PHE 60 9.075 8.850 5.573 471 HE1 PHE 60 HE1 PHE 60 4.286 8.809 6.863 472 HE2 PHE 60 HE2 PHE 60 8.024 10.894 6.502 473 HZ PHE 60 HZ PHE 60 5.630 10.873 7.149 474 H ILE 61 H ILE 61 6.250 4.386 3.777 475 HA ILE 61 HA ILE 61 3.886 5.881 2.828 476 HB ILE 61 HB ILE 61 4.479 3.049 1.963 477 1HG1 ILE 61 2HG1 ILE 61 5.112 5.647 0.514 478 2HG1 ILE 61 3HG1 ILE 61 6.291 4.479 1.110 479 1HG2 ILE 61 1HG2 ILE 61 2.701 3.384 0.438 480 2HG2 ILE 61 2HG2 ILE 61 2.128 4.137 1.925 481 3HG2 ILE 61 3HG2 ILE 61 2.761 5.137 0.618 482 1HD1 ILE 61 1HD1 ILE 61 4.916 2.782 -0.371 483 2HD1 ILE 61 2HD1 ILE 61 4.405 4.246 -1.212 484 3HD1 ILE 61 3HD1 ILE 61 6.116 3.833 -1.121 485 H SER 62 H SER 62 2.133 5.596 4.028 486 HA SER 62 HA SER 62 2.164 3.524 6.122 487 1HB SER 62 2HB SER 62 1.424 6.255 6.109 488 2HB SER 62 3HB SER 62 -0.070 5.341 6.296 489 HG SER 62 HG SER 62 2.146 4.507 7.767 490 H VAL 63 H VAL 63 1.228 1.675 5.462 491 HA VAL 63 HA VAL 63 -1.098 1.819 3.660 492 HB VAL 63 HB VAL 63 0.606 -0.568 4.431 493 1HG1 VAL 63 1HG1 VAL 63 -1.821 -0.194 2.687 494 2HG1 VAL 63 2HG1 VAL 63 -0.634 -1.431 2.276 495 3HG1 VAL 63 3HG1 VAL 63 -1.465 -1.487 3.830 496 1HG2 VAL 63 1HG2 VAL 63 1.757 1.161 3.025 497 2HG2 VAL 63 2HG2 VAL 63 1.531 -0.372 2.181 498 3HG2 VAL 63 3HG2 VAL 63 0.472 0.994 1.829 499 H ASP 64 H ASP 64 -3.031 1.681 4.515 500 HA ASP 64 HA ASP 64 -3.372 0.562 7.216 501 1HB ASP 64 2HB ASP 64 -5.481 1.951 5.581 502 2HB ASP 64 3HB ASP 64 -5.416 1.759 7.324 503 H LYS 65 H LYS 65 -5.075 -0.976 7.613 504 HA LYS 65 HA LYS 65 -6.051 -2.357 5.196 505 1HB LYS 65 2HB LYS 65 -5.643 -4.536 6.266 506 2HB LYS 65 3HB LYS 65 -4.140 -3.643 6.040 507 1HG LYS 65 2HG LYS 65 -3.806 -3.375 8.284 508 2HG LYS 65 3HG LYS 65 -5.525 -3.177 8.623 509 1HD LYS 65 2HD LYS 65 -5.871 -5.597 8.332 510 2HD LYS 65 3HD LYS 65 -4.158 -5.806 7.973 511 1HE LYS 65 2HE LYS 65 -3.728 -4.702 10.264 512 2HE LYS 65 3HE LYS 65 -5.437 -4.996 10.586 513 1HZ LYS 65 1HZ LYS 65 -3.538 -7.104 9.723 514 2HZ LYS 65 1HZ LYS 65 -5.132 -7.315 10.270 515 3HZ LYS 65 3HZ LYS 65 -3.924 -6.794 11.344 516 H GLU 66 H GLU 66 -7.878 -3.849 5.695 517 HA GLU 66 HA GLU 66 -9.998 -2.510 6.876 518 1HB GLU 66 2HB GLU 66 -9.529 -5.399 6.205 519 2HB GLU 66 3HB GLU 66 -11.005 -4.914 7.038 520 1HG GLU 66 2HG GLU 66 -10.011 -3.765 4.413 521 2HG GLU 66 3HG GLU 66 -11.318 -4.933 4.584 522 H ASN 67 H ASN 67 -11.351 -3.344 8.722 523 HA ASN 67 HA ASN 67 -10.387 -2.832 11.167 524 1HB ASN 67 2HB ASN 67 -12.039 -4.711 11.983 525 2HB ASN 67 3HB ASN 67 -12.658 -3.274 11.171 526 1HD2 ASN 67 2HD2 ASN 67 -14.208 -3.832 9.646 527 2HD2 ASN 67 1HD2 ASN 67 -14.169 -5.226 8.678 528 H ASP 68 H ASP 68 -10.133 -5.993 9.575 529 HA ASP 68 HA ASP 68 -7.965 -6.683 11.455 530 1HB ASP 68 2HB ASP 68 -9.958 -8.725 10.473 531 2HB ASP 68 3HB ASP 68 -8.783 -8.882 11.776 532 H ALA 69 H ALA 69 -9.619 -7.740 8.468 533 HA ALA 69 HA ALA 69 -8.795 -8.630 6.509 534 1HB ALA 69 1HB ALA 69 -7.786 -6.112 6.852 535 2HB ALA 69 2HB ALA 69 -6.314 -7.046 6.604 536 3HB ALA 69 3HB ALA 69 -7.592 -7.073 5.387 537 H ASN 70 H ASN 70 -6.103 -8.913 5.637 538 HA ASN 70 HA ASN 70 -4.820 -10.648 7.617 539 1HB ASN 70 2HB ASN 70 -6.346 -12.130 6.372 540 2HB ASN 70 3HB ASN 70 -5.605 -11.618 4.857 541 1HD2 ASN 70 2HD2 ASN 70 -4.977 -13.952 4.567 542 2HD2 ASN 70 1HD2 ASN 70 -3.614 -14.547 5.385 543 H TRP 71 H TRP 71 -2.806 -9.926 7.710 544 HA TRP 71 HA TRP 71 -1.557 -8.460 5.589 545 1HB TRP 71 2HB TRP 71 -0.646 -9.522 8.253 546 2HB TRP 71 3HB TRP 71 0.521 -8.859 7.112 547 HD1 TRP 71 HD1 TRP 71 -1.606 -7.816 9.855 548 HE1 TRP 71 HE1 TRP 71 -1.990 -5.268 9.841 549 HE3 TRP 71 HE3 TRP 71 0.031 -6.699 5.149 550 HZ2 TRP 71 HZ2 TRP 71 -1.650 -3.046 8.069 551 HZ3 TRP 71 HZ3 TRP 71 -0.009 -4.363 4.325 552 HH2 TRP 71 HH2 TRP 71 -0.846 -2.537 5.778 553 H GLU 72 H GLU 72 -1.361 -11.765 6.810 554 HA GLU 72 HA GLU 72 0.860 -12.690 5.395 555 1HB GLU 72 2HB GLU 72 -0.435 -13.915 7.187 556 2HB GLU 72 3HB GLU 72 -1.643 -14.293 5.960 557 1HG GLU 72 2HG GLU 72 0.073 -15.422 4.601 558 2HG GLU 72 3HG GLU 72 1.297 -15.029 5.806 559 H THR 73 H THR 73 -2.357 -11.957 4.299 560 HA THR 73 HA THR 73 -2.011 -13.350 1.755 561 HB THR 73 HB THR 73 -4.253 -11.882 3.107 562 HG1 THR 73 HG1 THR 73 -4.109 -14.366 1.754 563 1HG2 THR 73 1HG2 THR 73 -4.424 -10.941 0.926 564 2HG2 THR 73 2HG2 THR 73 -3.975 -12.462 0.154 565 3HG2 THR 73 3HG2 THR 73 -5.548 -12.299 0.935 566 H VAL 74 H VAL 74 -2.378 -10.045 2.972 567 HA VAL 74 HA VAL 74 -2.171 -8.759 0.459 568 HB VAL 74 HB VAL 74 -2.446 -8.020 3.245 569 1HG1 VAL 74 1HG1 VAL 74 -0.629 -6.287 1.548 570 2HG1 VAL 74 2HG1 VAL 74 -1.353 -5.802 3.080 571 3HG1 VAL 74 3HG1 VAL 74 -0.180 -7.118 3.038 572 1HG2 VAL 74 1HG2 VAL 74 -3.730 -6.216 2.282 573 2HG2 VAL 74 2HG2 VAL 74 -2.951 -6.432 0.715 574 3HG2 VAL 74 3HG2 VAL 74 -4.048 -7.666 1.332 575 H LEU 75 H LEU 75 0.262 -9.592 2.910 576 HA LEU 75 HA LEU 75 2.432 -8.146 2.024 577 1HB LEU 75 2HB LEU 75 2.037 -10.598 3.563 578 2HB LEU 75 3HB LEU 75 3.552 -10.600 2.667 579 HG LEU 75 HG LEU 75 3.674 -9.585 4.995 580 1HD1 LEU 75 1HD1 LEU 75 4.506 -8.212 2.463 581 2HD1 LEU 75 2HD1 LEU 75 4.791 -7.394 3.999 582 3HD1 LEU 75 3HD1 LEU 75 5.500 -8.981 3.701 583 1HD2 LEU 75 1HD2 LEU 75 2.553 -7.635 5.529 584 2HD2 LEU 75 2HD2 LEU 75 2.467 -7.095 3.853 585 3HD2 LEU 75 3HD2 LEU 75 1.373 -8.350 4.434 586 HA PRO 76 HA PRO 76 3.733 -11.782 -0.994 587 1HB PRO 76 2HB PRO 76 1.284 -13.042 -1.819 588 2HB PRO 76 3HB PRO 76 2.681 -13.776 -1.022 589 1HG PRO 76 2HG PRO 76 0.120 -13.030 0.090 590 2HG PRO 76 3HG PRO 76 1.408 -14.011 0.798 591 1HD PRO 76 2HD PRO 76 0.704 -11.449 1.632 592 2HD PRO 76 3HD PRO 76 2.247 -12.253 1.984 593 H LYS 77 H LYS 77 0.636 -10.104 -1.221 594 HA LYS 77 HA LYS 77 0.744 -9.796 -4.091 595 1HB LYS 77 2HB LYS 77 -0.991 -8.522 -1.964 596 2HB LYS 77 3HB LYS 77 -1.176 -8.221 -3.692 597 1HG LYS 77 2HG LYS 77 -1.781 -10.469 -4.135 598 2HG LYS 77 3HG LYS 77 -1.176 -11.026 -2.574 599 1HD LYS 77 2HD LYS 77 -2.956 -9.798 -1.416 600 2HD LYS 77 3HD LYS 77 -3.542 -9.168 -2.956 601 1HE LYS 77 2HE LYS 77 -4.003 -11.477 -3.721 602 2HE LYS 77 3HE LYS 77 -3.444 -12.095 -2.166 603 1HZ LYS 77 1HZ LYS 77 -5.991 -11.412 -2.736 604 2HZ LYS 77 1HZ LYS 77 -5.423 -10.015 -1.953 605 3HZ LYS 77 3HZ LYS 77 -5.342 -11.521 -1.172 606 H VAL 78 H VAL 78 1.249 -7.673 -1.283 607 HA VAL 78 HA VAL 78 1.860 -5.308 -2.660 608 HB VAL 78 HB VAL 78 2.764 -6.363 0.027 609 1HG1 VAL 78 1HG1 VAL 78 4.458 -4.793 -0.573 610 2HG1 VAL 78 2HG1 VAL 78 3.288 -3.701 -1.312 611 3HG1 VAL 78 3HG1 VAL 78 3.325 -3.897 0.440 612 1HG2 VAL 78 1HG2 VAL 78 0.316 -5.779 -0.458 613 2HG2 VAL 78 2HG2 VAL 78 1.057 -4.943 0.906 614 3HG2 VAL 78 3HG2 VAL 78 0.856 -4.110 -0.634 615 H GLU 79 H GLU 79 3.896 -8.037 -1.729 616 HA GLU 79 HA GLU 79 6.419 -7.009 -2.320 617 1HB GLU 79 2HB GLU 79 5.225 -9.751 -2.287 618 2HB GLU 79 3HB GLU 79 6.846 -9.539 -2.949 619 1HG GLU 79 2HG GLU 79 7.741 -8.873 -0.916 620 2HG GLU 79 3HG GLU 79 6.201 -8.256 -0.320 621 H ALA 80 H ALA 80 4.082 -8.602 -4.473 622 HA ALA 80 HA ALA 80 5.610 -8.839 -6.770 623 1HB ALA 80 1HB ALA 80 2.688 -8.062 -6.676 624 2HB ALA 80 2HB ALA 80 3.526 -8.862 -8.005 625 3HB ALA 80 3HB ALA 80 3.290 -9.707 -6.475 626 H VAL 81 H VAL 81 4.038 -5.985 -5.454 627 HA VAL 81 HA VAL 81 4.203 -4.306 -7.702 628 HB VAL 81 HB VAL 81 4.479 -3.434 -4.819 629 1HG1 VAL 81 1HG1 VAL 81 4.631 -1.907 -7.040 630 2HG1 VAL 81 2HG1 VAL 81 2.877 -1.966 -6.857 631 3HG1 VAL 81 3HG1 VAL 81 3.880 -1.338 -5.550 632 1HG2 VAL 81 1HG2 VAL 81 2.395 -4.192 -4.426 633 2HG2 VAL 81 2HG2 VAL 81 1.792 -3.306 -5.825 634 3HG2 VAL 81 3HG2 VAL 81 2.386 -4.953 -6.016 635 H PHE 82 H PHE 82 6.387 -4.328 -4.865 636 HA PHE 82 HA PHE 82 8.417 -2.891 -6.371 637 1HB PHE 82 2HB PHE 82 8.924 -4.052 -3.657 638 2HB PHE 82 3HB PHE 82 9.480 -2.528 -4.347 639 HD1 PHE 82 HD1 PHE 82 7.339 -3.853 -1.973 640 HD2 PHE 82 HD2 PHE 82 7.364 -0.970 -5.156 641 HE1 PHE 82 HE1 PHE 82 5.420 -2.683 -0.929 642 HE2 PHE 82 HE2 PHE 82 5.444 0.200 -4.110 643 HZ PHE 82 HZ PHE 82 4.472 -0.660 -1.999 644 H GLU 83 H GLU 83 7.509 -5.909 -6.663 645 HA GLU 83 HA GLU 83 10.135 -6.829 -7.453 646 1HB GLU 83 2HB GLU 83 9.017 -7.626 -4.899 647 2HB GLU 83 3HB GLU 83 9.217 -9.023 -5.954 648 1HG GLU 83 2HG GLU 83 11.552 -8.423 -6.358 649 2HG GLU 83 3HG GLU 83 11.370 -6.970 -5.377 650 H LEU 84 H LEU 84 8.859 -6.605 -9.432 651 HA LEU 84 HA LEU 84 6.641 -8.361 -9.918 652 1HB LEU 84 2HB LEU 84 8.240 -7.232 -12.181 653 2HB LEU 84 3HB LEU 84 6.494 -7.365 -11.992 654 HG LEU 84 HG LEU 84 7.028 -5.661 -9.959 655 1HD1 LEU 84 1HD1 LEU 84 8.858 -4.549 -12.040 656 2HD1 LEU 84 2HD1 LEU 84 8.860 -4.303 -10.295 657 3HD1 LEU 84 3HD1 LEU 84 9.507 -5.796 -10.975 658 1HD2 LEU 84 1HD2 LEU 84 6.567 -5.068 -12.893 659 2HD2 LEU 84 2HD2 LEU 84 5.364 -5.169 -11.607 660 3HD2 LEU 84 3HD2 LEU 84 6.498 -3.819 -11.649 661 H GLU 85 H GLU 85 9.625 -8.274 -11.837 662 HA GLU 85 HA GLU 85 9.491 -11.112 -12.317 663 1HB GLU 85 2HB GLU 85 11.642 -10.727 -13.539 664 2HB GLU 85 3HB GLU 85 10.325 -9.689 -14.087 665 1HG GLU 85 2HG GLU 85 11.182 -7.866 -12.631 666 2HG GLU 85 3HG GLU 85 12.524 -8.901 -12.147 667 H HIS 86 H HIS 86 10.935 -12.698 -11.589 668 HA HIS 86 HA HIS 86 11.842 -12.437 -8.919 669 1HB HIS 86 2HB HIS 86 12.715 -14.499 -10.957 670 2HB HIS 86 3HB HIS 86 12.779 -14.651 -9.201 671 HD1 HIS 86 HD1 HIS 86 10.413 -14.718 -7.947 672 HD2 HIS 86 HD2 HIS 86 10.242 -15.149 -12.090 673 HE1 HIS 86 HE1 HIS 86 8.106 -15.618 -8.478 674 H HIS 87 H HIS 87 13.687 -11.636 -8.113 675 HA HIS 87 HA HIS 87 15.699 -10.591 -9.933 676 1HB HIS 87 2HB HIS 87 15.578 -10.523 -6.906 677 2HB HIS 87 3HB HIS 87 16.689 -9.602 -7.922 678 HD1 HIS 87 HD1 HIS 87 14.099 -9.253 -10.041 679 HD2 HIS 87 HD2 HIS 87 14.502 -7.911 -6.114 680 HE1 HIS 87 HE1 HIS 87 12.467 -7.336 -9.768 681 H HIS 88 H HIS 88 16.586 -12.513 -10.793 682 HA HIS 88 HA HIS 88 18.777 -13.568 -9.259 683 1HB HIS 88 2HB HIS 88 16.921 -14.964 -8.397 684 2HB HIS 88 3HB HIS 88 16.556 -15.473 -10.044 685 HD1 HIS 88 HD1 HIS 88 20.104 -15.176 -9.935 686 HD2 HIS 88 HD2 HIS 88 17.411 -18.039 -8.541 687 HE1 HIS 88 HE1 HIS 88 21.431 -17.307 -9.605 688 H HIS 89 H HIS 89 19.980 -12.759 -10.995 689 HA HIS 89 HA HIS 89 19.539 -13.980 -13.637 690 1HB HIS 89 2HB HIS 89 21.461 -11.773 -12.843 691 2HB HIS 89 3HB HIS 89 21.084 -12.295 -14.484 692 HD1 HIS 89 HD1 HIS 89 17.905 -12.590 -13.367 693 HD2 HIS 89 HD2 HIS 89 20.308 -9.199 -13.695 694 HE1 HIS 89 HE1 HIS 89 16.335 -10.606 -13.473 695 H HIS 90 H HIS 90 22.642 -13.167 -13.749 696 HA HIS 90 HA HIS 90 23.575 -15.884 -13.481 697 1HB HIS 90 2HB HIS 90 25.008 -13.294 -14.115 698 2HB HIS 90 3HB HIS 90 25.779 -14.880 -14.127 699 HD1 HIS 90 HD1 HIS 90 24.216 -12.599 -16.365 700 HD2 HIS 90 HD2 HIS 90 24.093 -16.743 -15.928 701 HE1 HIS 90 HE1 HIS 90 23.373 -13.528 -18.566 702 H HIS 91 H HIS 91 25.663 -16.312 -12.269 703 HA HIS 91 HA HIS 91 26.850 -16.442 -10.313 704 1HB HIS 91 2HB HIS 91 27.247 -14.008 -10.731 705 2HB HIS 91 3HB HIS 91 25.826 -13.643 -9.759 706 HD1 HIS 91 HD1 HIS 91 29.058 -15.645 -9.364 707 HD2 HIS 91 HD2 HIS 91 26.461 -13.306 -7.093 708 HE1 HIS 91 HE1 HIS 91 30.086 -15.469 -7.055 Start of MODEL 4 1 1H MET 1 1HT MET 1 15.780 2.144 -4.573 2 2H MET 1 2HT MET 1 15.448 2.100 -6.239 3 3H MET 1 3HT MET 1 15.232 0.708 -5.291 4 HA MET 1 HA MET 1 13.718 2.783 -4.167 5 1HB MET 1 2HB MET 1 13.975 3.548 -6.651 6 2HB MET 1 3HB MET 1 12.891 2.204 -7.007 7 1HG MET 1 2HG MET 1 11.203 3.116 -5.496 8 2HG MET 1 3HG MET 1 12.297 4.415 -5.018 9 1HE MET 1 1HE MET 1 9.421 3.499 -7.471 10 2HE MET 1 2HE MET 1 9.119 5.232 -7.536 11 3HE MET 1 3HE MET 1 9.427 4.456 -5.983 12 H LYS 2 H LYS 2 13.238 1.025 -2.809 13 HA LYS 2 HA LYS 2 11.061 -0.625 -3.636 14 1HB LYS 2 2HB LYS 2 12.245 -2.818 -3.308 15 2HB LYS 2 3HB LYS 2 12.739 -1.939 -4.751 16 1HG LYS 2 2HG LYS 2 14.718 -1.074 -3.569 17 2HG LYS 2 3HG LYS 2 14.221 -1.916 -2.100 18 1HD LYS 2 2HD LYS 2 14.314 -4.076 -3.401 19 2HD LYS 2 3HD LYS 2 15.019 -3.171 -4.742 20 1HE LYS 2 2HE LYS 2 17.002 -2.747 -3.595 21 2HE LYS 2 3HE LYS 2 16.246 -2.935 -2.010 22 1HZ LYS 2 1HZ LYS 2 17.710 -4.808 -2.693 23 2HZ LYS 2 1HZ LYS 2 16.607 -5.166 -3.935 24 3HZ LYS 2 3HZ LYS 2 16.124 -5.273 -2.309 25 H ILE 3 H ILE 3 11.298 -2.703 -1.816 26 HA ILE 3 HA ILE 3 10.794 -1.295 0.675 27 HB ILE 3 HB ILE 3 10.546 -4.203 -0.126 28 1HG1 ILE 3 2HG1 ILE 3 8.410 -2.147 0.514 29 2HG1 ILE 3 3HG1 ILE 3 8.967 -2.480 -1.126 30 1HG2 ILE 3 1HG2 ILE 3 10.943 -4.230 2.229 31 2HG2 ILE 3 2HG2 ILE 3 9.971 -2.781 2.483 32 3HG2 ILE 3 3HG2 ILE 3 9.189 -4.304 2.054 33 1HD1 ILE 3 1HD1 ILE 3 8.232 -4.774 -0.987 34 2HD1 ILE 3 2HD1 ILE 3 7.885 -4.610 0.735 35 3HD1 ILE 3 3HD1 ILE 3 6.895 -3.757 -0.449 36 H ILE 4 H ILE 4 12.269 -0.993 2.204 37 HA ILE 4 HA ILE 4 14.689 -2.704 2.247 38 HB ILE 4 HB ILE 4 14.209 0.131 3.200 39 1HG1 ILE 4 2HG1 ILE 4 16.045 0.616 1.603 40 2HG1 ILE 4 3HG1 ILE 4 16.046 -1.073 1.111 41 1HG2 ILE 4 1HG2 ILE 4 16.822 -0.138 3.589 42 2HG2 ILE 4 2HG2 ILE 4 15.675 -0.602 4.844 43 3HG2 ILE 4 3HG2 ILE 4 16.389 -1.836 3.806 44 1HD1 ILE 4 1HD1 ILE 4 13.432 0.349 1.039 45 2HD1 ILE 4 2HD1 ILE 4 14.620 0.805 -0.180 46 3HD1 ILE 4 3HD1 ILE 4 14.084 -0.869 -0.058 47 H SER 5 H SER 5 12.039 -1.382 4.077 48 HA SER 5 HA SER 5 12.181 -3.438 6.064 49 1HB SER 5 2HB SER 5 13.993 -2.027 6.926 50 2HB SER 5 3HB SER 5 12.931 -0.622 6.905 51 HG SER 5 HG SER 5 11.540 -1.908 8.327 52 H ILE 6 H ILE 6 10.401 -3.295 7.597 53 HA ILE 6 HA ILE 6 8.372 -1.259 7.060 54 HB ILE 6 HB ILE 6 7.880 -4.217 6.655 55 1HG1 ILE 6 2HG1 ILE 6 8.035 -1.811 4.822 56 2HG1 ILE 6 3HG1 ILE 6 8.892 -3.344 4.684 57 1HG2 ILE 6 1HG2 ILE 6 5.562 -3.538 6.177 58 2HG2 ILE 6 2HG2 ILE 6 6.009 -3.069 7.815 59 3HG2 ILE 6 3HG2 ILE 6 5.968 -1.860 6.532 60 1HD1 ILE 6 1HD1 ILE 6 6.505 -4.376 4.487 61 2HD1 ILE 6 2HD1 ILE 6 6.012 -2.731 4.087 62 3HD1 ILE 6 3HD1 ILE 6 7.201 -3.565 3.085 63 H SER 7 H SER 7 7.951 -0.523 8.997 64 HA SER 7 HA SER 7 7.658 -0.434 11.287 65 1HB SER 7 2HB SER 7 5.711 -1.571 11.983 66 2HB SER 7 3HB SER 7 5.490 -1.334 10.255 67 HG SER 7 HG SER 7 5.185 -3.543 11.335 68 H GLU 8 H GLU 8 6.916 -2.874 12.803 69 HA GLU 8 HA GLU 8 9.324 -4.481 12.854 70 1HB GLU 8 2HB GLU 8 9.063 -2.234 14.579 71 2HB GLU 8 3HB GLU 8 8.872 -3.685 15.558 72 1HG GLU 8 2HG GLU 8 11.150 -3.275 13.602 73 2HG GLU 8 3HG GLU 8 11.267 -2.920 15.324 74 H THR 9 H THR 9 6.183 -3.921 13.243 75 HA THR 9 HA THR 9 5.659 -6.552 14.464 76 HB THR 9 HB THR 9 5.151 -4.674 16.043 77 HG1 THR 9 HG1 THR 9 2.955 -5.403 16.370 78 1HG2 THR 9 1HG2 THR 9 2.744 -3.941 14.476 79 2HG2 THR 9 2HG2 THR 9 3.774 -2.935 15.495 80 3HG2 THR 9 3HG2 THR 9 4.275 -3.330 13.851 81 HA PRO 10 HA PRO 10 3.678 -6.436 10.352 82 1HB PRO 10 2HB PRO 10 3.880 -9.300 10.305 83 2HB PRO 10 3HB PRO 10 4.762 -8.115 9.334 84 1HG PRO 10 2HG PRO 10 5.834 -9.731 11.321 85 2HG PRO 10 3HG PRO 10 6.590 -8.311 10.595 86 1HD PRO 10 2HD PRO 10 5.328 -8.593 13.252 87 2HD PRO 10 3HD PRO 10 6.542 -7.424 12.692 88 H ASN 11 H ASN 11 2.453 -6.644 13.084 89 HA ASN 11 HA ASN 11 -0.071 -7.879 12.237 90 1HB ASN 11 2HB ASN 11 1.196 -9.536 13.619 91 2HB ASN 11 3HB ASN 11 1.190 -8.375 14.944 92 1HD2 ASN 11 2HD2 ASN 11 -0.330 -9.157 16.425 93 2HD2 ASN 11 1HD2 ASN 11 -1.903 -9.655 16.020 94 H HIS 12 H HIS 12 -0.876 -5.770 11.987 95 HA HIS 12 HA HIS 12 -1.797 -4.511 14.441 96 1HB HIS 12 2HB HIS 12 0.488 -3.537 13.954 97 2HB HIS 12 3HB HIS 12 -0.183 -2.882 12.462 98 HD1 HIS 12 HD1 HIS 12 -0.477 -2.586 16.223 99 HD2 HIS 12 HD2 HIS 12 -1.793 -0.589 12.808 100 HE1 HIS 12 HE1 HIS 12 -1.506 -0.409 17.012 101 H ASN 13 H ASN 13 -1.730 -2.282 11.954 102 HA ASN 13 HA ASN 13 -4.118 -3.230 10.564 103 1HB ASN 13 2HB ASN 13 -4.193 -0.502 11.840 104 2HB ASN 13 3HB ASN 13 -5.518 -1.420 11.135 105 1HD2 ASN 13 2HD2 ASN 13 -6.085 -3.523 12.354 106 2HD2 ASN 13 1HD2 ASN 13 -5.927 -3.507 14.044 107 H THR 14 H THR 14 -1.609 -0.810 11.030 108 HA THR 14 HA THR 14 -1.574 -0.364 8.125 109 HB THR 14 HB THR 14 -2.763 1.500 9.504 110 HG1 THR 14 HG1 THR 14 -1.109 1.515 7.386 111 1HG2 THR 14 1HG2 THR 14 -1.325 3.146 10.513 112 2HG2 THR 14 2HG2 THR 14 -0.908 1.585 11.224 113 3HG2 THR 14 3HG2 THR 14 0.121 2.290 9.978 114 H MET 15 H MET 15 0.401 -0.641 7.311 115 HA MET 15 HA MET 15 2.685 -0.667 9.188 116 1HB MET 15 2HB MET 15 3.794 -2.116 7.532 117 2HB MET 15 3HB MET 15 2.265 -2.802 8.075 118 1HG MET 15 2HG MET 15 1.152 -2.184 6.059 119 2HG MET 15 3HG MET 15 2.462 -1.112 5.573 120 1HE MET 15 1HE MET 15 2.599 -5.685 5.834 121 2HE MET 15 2HE MET 15 1.534 -4.566 6.681 122 3HE MET 15 3HE MET 15 3.212 -4.727 7.188 123 H LYS 16 H LYS 16 4.698 0.179 8.510 124 HA LYS 16 HA LYS 16 4.433 2.469 6.672 125 1HB LYS 16 2HB LYS 16 5.150 3.167 8.823 126 2HB LYS 16 3HB LYS 16 6.311 1.845 8.952 127 1HG LYS 16 2HG LYS 16 7.721 2.816 7.254 128 2HG LYS 16 3HG LYS 16 6.497 4.021 6.852 129 1HD LYS 16 2HD LYS 16 6.784 5.161 8.919 130 2HD LYS 16 3HD LYS 16 7.671 3.810 9.627 131 1HE LYS 16 2HE LYS 16 9.401 4.221 7.736 132 2HE LYS 16 3HE LYS 16 8.611 5.787 7.551 133 1HZ LYS 16 1HZ LYS 16 10.154 6.316 9.109 134 2HZ LYS 16 1HZ LYS 16 10.198 4.755 9.779 135 3HZ LYS 16 3HZ LYS 16 8.912 5.806 10.144 136 H ILE 17 H ILE 17 5.449 2.453 4.753 137 HA ILE 17 HA ILE 17 7.299 0.241 4.165 138 HB ILE 17 HB ILE 17 5.728 2.110 2.382 139 1HG1 ILE 17 2HG1 ILE 17 5.637 -0.904 2.479 140 2HG1 ILE 17 3HG1 ILE 17 4.706 0.053 3.627 141 1HG2 ILE 17 1HG2 ILE 17 6.653 0.622 0.541 142 2HG2 ILE 17 2HG2 ILE 17 7.823 1.724 1.263 143 3HG2 ILE 17 3HG2 ILE 17 7.819 0.020 1.719 144 1HD1 ILE 17 1HD1 ILE 17 4.541 0.281 0.607 145 2HD1 ILE 17 2HD1 ILE 17 3.349 -0.498 1.645 146 3HD1 ILE 17 3HD1 ILE 17 3.615 1.241 1.763 147 H THR 18 H THR 18 9.379 0.654 4.394 148 HA THR 18 HA THR 18 10.413 3.373 4.192 149 HB THR 18 HB THR 18 11.757 0.751 4.895 150 HG1 THR 18 HG1 THR 18 11.767 1.845 6.985 151 1HG2 THR 18 1HG2 THR 18 13.464 2.167 4.029 152 2HG2 THR 18 2HG2 THR 18 12.769 3.599 4.791 153 3HG2 THR 18 3HG2 THR 18 13.546 2.363 5.779 154 H LEU 19 H LEU 19 11.382 4.179 2.430 155 HA LEU 19 HA LEU 19 11.962 2.361 0.182 156 1HB LEU 19 2HB LEU 19 11.639 5.375 0.237 157 2HB LEU 19 3HB LEU 19 11.979 4.417 -1.200 158 HG LEU 19 HG LEU 19 9.504 4.217 0.547 159 1HD1 LEU 19 1HD1 LEU 19 9.269 6.119 -0.858 160 2HD1 LEU 19 2HD1 LEU 19 10.073 5.319 -2.209 161 3HD1 LEU 19 3HD1 LEU 19 8.448 4.827 -1.734 162 1HD2 LEU 19 1HD2 LEU 19 9.759 2.020 -0.186 163 2HD2 LEU 19 2HD2 LEU 19 8.861 2.706 -1.539 164 3HD2 LEU 19 3HD2 LEU 19 10.610 2.497 -1.655 165 H SER 20 H SER 20 13.879 2.830 -1.118 166 HA SER 20 HA SER 20 16.233 2.966 0.470 167 1HB SER 20 2HB SER 20 17.258 2.173 -1.388 168 2HB SER 20 3HB SER 20 15.621 1.954 -1.999 169 HG SER 20 HG SER 20 17.550 3.592 -2.873 170 H GLU 21 H GLU 21 14.185 5.380 -0.457 171 HA GLU 21 HA GLU 21 16.256 7.356 -1.026 172 1HB GLU 21 2HB GLU 21 14.112 7.309 -2.333 173 2HB GLU 21 3HB GLU 21 13.268 7.791 -0.858 174 1HG GLU 21 2HG GLU 21 14.679 9.815 -0.708 175 2HG GLU 21 3HG GLU 21 15.531 9.333 -2.172 176 H SER 22 H SER 22 17.244 8.294 0.620 177 HA SER 22 HA SER 22 15.692 9.439 2.799 178 1HB SER 22 2HB SER 22 17.777 7.296 3.221 179 2HB SER 22 3HB SER 22 17.319 8.428 4.490 180 HG SER 22 HG SER 22 15.068 7.602 3.548 181 H ARG 23 H ARG 23 16.450 11.291 1.516 182 HA ARG 23 HA ARG 23 18.788 12.463 2.676 183 1HB ARG 23 2HB ARG 23 19.615 10.872 0.773 184 2HB ARG 23 3HB ARG 23 19.012 12.135 -0.304 185 1HG ARG 23 2HG ARG 23 20.451 13.788 0.717 186 2HG ARG 23 3HG ARG 23 20.930 12.660 1.984 187 1HD ARG 23 2HD ARG 23 22.709 12.713 0.365 188 2HD ARG 23 3HD ARG 23 21.880 11.170 0.185 189 HE ARG 23 HE ARG 23 20.894 11.991 -1.842 190 1HH1 ARG 23 1HH1 ARG 23 21.621 14.880 -0.502 191 2HH1 ARG 23 2HH1 ARG 23 22.528 15.529 -1.828 192 1HH2 ARG 23 1HH2 ARG 23 22.745 12.493 -3.496 193 2HH2 ARG 23 2HH2 ARG 23 23.167 14.174 -3.530 194 H GLU 24 H GLU 24 15.867 12.573 1.098 195 HA GLU 24 HA GLU 24 15.689 15.421 1.262 196 1HB GLU 24 2HB GLU 24 16.913 14.799 -1.007 197 2HB GLU 24 3HB GLU 24 15.270 14.444 -1.540 198 1HG GLU 24 2HG GLU 24 16.121 17.068 -0.273 199 2HG GLU 24 3HG GLU 24 15.989 16.804 -2.008 200 H GLY 25 H GLY 25 14.336 12.511 -0.256 201 1HA GLY 25 1HA GLY 25 12.231 11.559 0.247 202 2HA GLY 25 2HA GLY 25 11.740 13.082 0.984 203 H MET 26 H MET 26 10.030 11.812 -0.749 204 HA MET 26 HA MET 26 10.318 13.138 -3.352 205 1HB MET 26 2HB MET 26 8.251 11.139 -2.396 206 2HB MET 26 3HB MET 26 8.409 11.752 -4.043 207 1HG MET 26 2HG MET 26 10.846 10.912 -3.924 208 2HG MET 26 3HG MET 26 10.326 9.999 -2.508 209 1HE MET 26 1HE MET 26 11.052 7.718 -3.780 210 2HE MET 26 2HE MET 26 9.554 6.840 -4.063 211 3HE MET 26 3HE MET 26 9.735 7.802 -2.600 212 H THR 27 H THR 27 7.326 12.503 -1.593 213 HA THR 27 HA THR 27 6.826 15.262 -0.961 214 HB THR 27 HB THR 27 4.914 14.128 -2.990 215 HG1 THR 27 HG1 THR 27 6.324 14.402 -4.494 216 1HG2 THR 27 1HG2 THR 27 4.173 16.334 -3.176 217 2HG2 THR 27 2HG2 THR 27 4.612 16.256 -1.469 218 3HG2 THR 27 3HG2 THR 27 5.710 17.001 -2.629 219 H SER 28 H SER 28 3.874 14.691 -1.364 220 HA SER 28 HA SER 28 3.328 12.487 0.435 221 1HB SER 28 2HB SER 28 2.523 13.705 2.268 222 2HB SER 28 3HB SER 28 3.968 14.607 1.822 223 HG SER 28 HG SER 28 2.463 16.151 1.895 224 H ASP 29 H ASP 29 1.410 11.620 -0.080 225 HA ASP 29 HA ASP 29 -0.832 13.207 -0.952 226 1HB ASP 29 2HB ASP 29 0.825 11.682 -2.921 227 2HB ASP 29 3HB ASP 29 -0.923 11.671 -3.116 228 H THR 30 H THR 30 -2.719 12.147 -0.604 229 HA THR 30 HA THR 30 -2.526 9.411 0.466 230 HB THR 30 HB THR 30 -4.710 11.497 0.656 231 HG1 THR 30 HG1 THR 30 -3.980 11.731 2.684 232 1HG2 THR 30 1HG2 THR 30 -4.590 8.598 1.391 233 2HG2 THR 30 2HG2 THR 30 -5.426 9.697 2.487 234 3HG2 THR 30 3HG2 THR 30 -5.958 9.546 0.811 235 H TYR 31 H TYR 31 -3.857 7.754 -0.275 236 HA TYR 31 HA TYR 31 -5.383 8.261 -2.750 237 1HB TYR 31 2HB TYR 31 -3.566 5.875 -2.391 238 2HB TYR 31 3HB TYR 31 -4.411 6.380 -3.852 239 HD1 TYR 31 HD1 TYR 31 -1.281 6.268 -2.437 240 HD2 TYR 31 HD2 TYR 31 -3.904 9.075 -4.362 241 HE1 TYR 31 HE1 TYR 31 0.670 7.647 -3.084 242 HE2 TYR 31 HE2 TYR 31 -1.949 10.457 -5.011 243 HH TYR 31 HH TYR 31 1.353 9.338 -4.436 244 H THR 32 H THR 32 -7.391 7.580 -2.478 245 HA THR 32 HA THR 32 -7.892 5.210 -0.771 246 HB THR 32 HB THR 32 -10.071 6.293 -0.172 247 HG1 THR 32 HG1 THR 32 -10.493 8.283 -0.851 248 1HG2 THR 32 1HG2 THR 32 -7.817 8.151 0.569 249 2HG2 THR 32 2HG2 THR 32 -9.161 7.586 1.561 250 3HG2 THR 32 3HG2 THR 32 -7.847 6.485 1.153 251 H LYS 33 H LYS 33 -8.089 6.549 -3.836 252 HA LYS 33 HA LYS 33 -9.744 4.370 -4.795 253 1HB LYS 33 2HB LYS 33 -11.244 6.098 -6.026 254 2HB LYS 33 3HB LYS 33 -11.571 5.772 -4.320 255 1HG LYS 33 2HG LYS 33 -10.309 7.746 -3.650 256 2HG LYS 33 3HG LYS 33 -9.842 8.052 -5.323 257 1HD LYS 33 2HD LYS 33 -12.330 8.212 -5.860 258 2HD LYS 33 3HD LYS 33 -12.612 8.220 -4.117 259 1HE LYS 33 2HE LYS 33 -11.214 10.216 -3.866 260 2HE LYS 33 3HE LYS 33 -10.840 10.192 -5.592 261 1HZ LYS 33 1HZ LYS 33 -12.732 11.222 -6.045 262 2HZ LYS 33 1HZ LYS 33 -12.969 11.445 -4.376 263 3HZ LYS 33 3HZ LYS 33 -13.643 10.096 -5.161 264 H VAL 34 H VAL 34 -7.234 4.497 -5.438 265 HA VAL 34 HA VAL 34 -5.590 5.100 -7.000 266 HB VAL 34 HB VAL 34 -7.766 3.953 -8.757 267 1HG1 VAL 34 1HG1 VAL 34 -5.915 3.116 -10.070 268 2HG1 VAL 34 2HG1 VAL 34 -5.661 4.842 -9.827 269 3HG1 VAL 34 3HG1 VAL 34 -4.751 3.676 -8.870 270 1HG2 VAL 34 1HG2 VAL 34 -5.975 2.728 -6.670 271 2HG2 VAL 34 2HG2 VAL 34 -7.683 2.415 -6.993 272 3HG2 VAL 34 3HG2 VAL 34 -6.446 1.784 -8.080 273 H ASP 35 H ASP 35 -5.208 7.221 -7.341 274 HA ASP 35 HA ASP 35 -6.307 8.429 -9.733 275 1HB ASP 35 2HB ASP 35 -7.898 8.875 -7.682 276 2HB ASP 35 3HB ASP 35 -6.667 10.049 -7.230 277 H ASP 36 H ASP 36 -5.566 11.108 -9.000 278 HA ASP 36 HA ASP 36 -3.737 12.488 -9.097 279 1HB ASP 36 2HB ASP 36 -2.670 10.398 -7.186 280 2HB ASP 36 3HB ASP 36 -1.885 11.941 -7.508 281 H SER 37 H SER 37 -1.450 9.986 -8.514 282 HA SER 37 HA SER 37 -0.995 9.193 -11.218 283 1HB SER 37 2HB SER 37 -0.123 11.377 -11.593 284 2HB SER 37 3HB SER 37 0.718 11.392 -10.044 285 HG SER 37 HG SER 37 1.570 10.505 -12.421 286 H GLN 38 H GLN 38 -1.315 7.462 -9.417 287 HA GLN 38 HA GLN 38 1.165 6.812 -8.000 288 1HB GLN 38 2HB GLN 38 -1.485 5.343 -8.044 289 2HB GLN 38 3HB GLN 38 -0.141 5.054 -6.941 290 1HG GLN 38 2HG GLN 38 -0.553 6.953 -5.711 291 2HG GLN 38 3HG GLN 38 -1.218 7.833 -7.084 292 1HE2 GLN 38 2HE2 GLN 38 -2.081 4.752 -5.395 293 2HE2 GLN 38 1HE2 GLN 38 -3.728 5.138 -5.248 294 HA PRO 39 HA PRO 39 2.652 4.063 -11.110 295 1HB PRO 39 2HB PRO 39 3.477 2.043 -9.228 296 2HB PRO 39 3HB PRO 39 4.487 3.222 -10.071 297 1HG PRO 39 2HG PRO 39 3.679 3.190 -7.325 298 2HG PRO 39 3HG PRO 39 4.784 4.297 -8.141 299 1HD PRO 39 2HD PRO 39 2.183 4.890 -7.181 300 2HD PRO 39 3HD PRO 39 3.212 5.934 -8.185 301 H ALA 40 H ALA 40 1.601 2.503 -12.311 302 HA ALA 40 HA ALA 40 -0.894 1.539 -11.795 303 1HB ALA 40 1HB ALA 40 -0.327 -0.403 -13.284 304 2HB ALA 40 2HB ALA 40 0.119 1.170 -13.946 305 3HB ALA 40 3HB ALA 40 1.355 0.128 -13.240 306 H PHE 41 H PHE 41 2.163 0.110 -10.815 307 HA PHE 41 HA PHE 41 1.339 -2.288 -9.704 308 1HB PHE 41 2HB PHE 41 3.452 -0.559 -8.430 309 2HB PHE 41 3HB PHE 41 3.414 -2.316 -8.592 310 HD1 PHE 41 HD1 PHE 41 5.107 0.423 -9.762 311 HD2 PHE 41 HD2 PHE 41 2.930 -2.955 -11.286 312 HE1 PHE 41 HE1 PHE 41 6.346 0.589 -11.902 313 HE2 PHE 41 HE2 PHE 41 4.169 -2.788 -13.424 314 HZ PHE 41 HZ PHE 41 5.877 -1.018 -13.736 315 H ILE 42 H ILE 42 1.255 0.969 -8.298 316 HA ILE 42 HA ILE 42 0.514 0.134 -5.674 317 HB ILE 42 HB ILE 42 0.576 2.741 -7.145 318 1HG1 ILE 42 2HG1 ILE 42 2.501 1.563 -5.832 319 2HG1 ILE 42 3HG1 ILE 42 2.230 3.282 -5.567 320 1HG2 ILE 42 1HG2 ILE 42 -1.479 3.067 -6.015 321 2HG2 ILE 42 2HG2 ILE 42 -0.938 2.172 -4.595 322 3HG2 ILE 42 3HG2 ILE 42 -0.274 3.768 -4.937 323 1HD1 ILE 42 1HD1 ILE 42 0.729 1.383 -3.830 324 2HD1 ILE 42 2HD1 ILE 42 2.457 1.562 -3.533 325 3HD1 ILE 42 3HD1 ILE 42 1.399 2.970 -3.449 326 H ASN 43 H ASN 43 -1.279 0.691 -8.627 327 HA ASN 43 HA ASN 43 -3.841 1.099 -7.507 328 1HB ASN 43 2HB ASN 43 -3.032 -0.227 -10.111 329 2HB ASN 43 3HB ASN 43 -4.680 0.201 -9.679 330 1HD2 ASN 43 2HD2 ASN 43 -2.235 2.402 -8.542 331 2HD2 ASN 43 1HD2 ASN 43 -2.524 3.620 -9.687 332 H ASP 44 H ASP 44 -1.925 -1.772 -8.253 333 HA ASP 44 HA ASP 44 -3.848 -3.759 -7.812 334 1HB ASP 44 2HB ASP 44 -1.480 -4.091 -8.659 335 2HB ASP 44 3HB ASP 44 -0.947 -3.959 -6.985 336 H ILE 45 H ILE 45 -1.531 -2.352 -5.494 337 HA ILE 45 HA ILE 45 -2.238 -3.641 -3.179 338 HB ILE 45 HB ILE 45 -1.502 -0.742 -3.627 339 1HG1 ILE 45 2HG1 ILE 45 0.106 -3.092 -2.589 340 2HG1 ILE 45 3HG1 ILE 45 0.134 -2.536 -4.261 341 1HG2 ILE 45 1HG2 ILE 45 -1.646 -2.299 -1.027 342 2HG2 ILE 45 2HG2 ILE 45 -0.926 -0.701 -1.216 343 3HG2 ILE 45 3HG2 ILE 45 -2.654 -0.922 -1.473 344 1HD1 ILE 45 1HD1 ILE 45 1.549 -0.858 -3.757 345 2HD1 ILE 45 2HD1 ILE 45 0.524 -0.317 -2.425 346 3HD1 ILE 45 3HD1 ILE 45 1.725 -1.582 -2.158 347 H LEU 46 H LEU 46 -3.725 -0.643 -4.415 348 HA LEU 46 HA LEU 46 -5.778 -0.550 -2.450 349 1HB LEU 46 2HB LEU 46 -5.558 0.742 -5.179 350 2HB LEU 46 3HB LEU 46 -6.823 1.111 -4.006 351 HG LEU 46 HG LEU 46 -3.847 1.385 -3.467 352 1HD1 LEU 46 1HD1 LEU 46 -5.962 3.375 -4.305 353 2HD1 LEU 46 2HD1 LEU 46 -4.506 3.880 -3.447 354 3HD1 LEU 46 3HD1 LEU 46 -4.377 3.100 -5.024 355 1HD2 LEU 46 1HD2 LEU 46 -6.351 1.780 -1.861 356 2HD2 LEU 46 2HD2 LEU 46 -4.788 1.137 -1.357 357 3HD2 LEU 46 3HD2 LEU 46 -4.995 2.874 -1.579 358 H LYS 47 H LYS 47 -5.572 -1.952 -5.684 359 HA LYS 47 HA LYS 47 -8.377 -2.662 -5.745 360 1HB LYS 47 2HB LYS 47 -6.033 -3.092 -7.575 361 2HB LYS 47 3HB LYS 47 -7.523 -4.007 -7.815 362 1HG LYS 47 2HG LYS 47 -8.787 -1.832 -7.809 363 2HG LYS 47 3HG LYS 47 -7.241 -0.987 -7.760 364 1HD LYS 47 2HD LYS 47 -6.639 -2.368 -9.866 365 2HD LYS 47 3HD LYS 47 -8.368 -2.709 -9.968 366 1HE LYS 47 2HE LYS 47 -8.876 -0.326 -10.069 367 2HE LYS 47 3HE LYS 47 -7.178 0.079 -9.835 368 1HZ LYS 47 1HZ LYS 47 -8.479 -1.156 -12.176 369 2HZ LYS 47 1HZ LYS 47 -6.814 -1.355 -11.907 370 3HZ LYS 47 3HZ LYS 47 -7.464 0.201 -12.115 371 H VAL 48 H VAL 48 -5.673 -3.943 -4.227 372 HA VAL 48 HA VAL 48 -6.364 -6.743 -4.493 373 HB VAL 48 HB VAL 48 -4.317 -5.195 -2.924 374 1HG1 VAL 48 1HG1 VAL 48 -5.245 -8.029 -2.418 375 2HG1 VAL 48 2HG1 VAL 48 -3.618 -7.492 -2.004 376 3HG1 VAL 48 3HG1 VAL 48 -5.016 -6.734 -1.242 377 1HG2 VAL 48 1HG2 VAL 48 -2.785 -6.359 -4.248 378 2HG2 VAL 48 2HG2 VAL 48 -3.892 -7.703 -4.530 379 3HG2 VAL 48 3HG2 VAL 48 -4.136 -6.168 -5.363 380 H GLU 49 H GLU 49 -8.094 -7.564 -3.522 381 HA GLU 49 HA GLU 49 -9.707 -6.334 -1.644 382 1HB GLU 49 2HB GLU 49 -9.240 -9.240 -2.289 383 2HB GLU 49 3HB GLU 49 -10.399 -8.750 -1.058 384 1HG GLU 49 2HG GLU 49 -11.612 -7.392 -2.692 385 2HG GLU 49 3HG GLU 49 -10.416 -7.769 -3.929 386 H GLY 50 H GLY 50 -9.162 -5.607 0.317 387 1HA GLY 50 1HA GLY 50 -8.741 -6.747 2.610 388 2HA GLY 50 2HA GLY 50 -7.168 -7.090 1.901 389 H VAL 51 H VAL 51 -6.817 -4.645 0.485 390 HA VAL 51 HA VAL 51 -5.923 -2.969 2.664 391 HB VAL 51 HB VAL 51 -5.869 -2.261 -0.270 392 1HG1 VAL 51 1HG1 VAL 51 -5.179 -0.438 1.110 393 2HG1 VAL 51 2HG1 VAL 51 -4.277 -1.504 2.188 394 3HG1 VAL 51 3HG1 VAL 51 -3.685 -1.192 0.558 395 1HG2 VAL 51 1HG2 VAL 51 -3.631 -3.378 -0.305 396 2HG2 VAL 51 2HG2 VAL 51 -3.957 -4.018 1.307 397 3HG2 VAL 51 3HG2 VAL 51 -4.953 -4.519 -0.060 398 H LYS 52 H LYS 52 -6.606 -0.860 3.127 399 HA LYS 52 HA LYS 52 -9.330 -0.232 2.167 400 1HB LYS 52 2HB LYS 52 -9.229 -0.612 4.561 401 2HB LYS 52 3HB LYS 52 -7.904 0.540 4.724 402 1HG LYS 52 2HG LYS 52 -9.278 2.383 4.375 403 2HG LYS 52 3HG LYS 52 -10.459 1.458 3.452 404 1HD LYS 52 2HD LYS 52 -11.392 2.028 5.641 405 2HD LYS 52 3HD LYS 52 -11.144 0.288 5.538 406 1HE LYS 52 2HE LYS 52 -8.957 2.016 6.662 407 2HE LYS 52 3HE LYS 52 -10.338 1.606 7.677 408 1HZ LYS 52 1HZ LYS 52 -8.823 -0.095 8.057 409 2HZ LYS 52 1HZ LYS 52 -8.373 -0.206 6.423 410 3HZ LYS 52 3HZ LYS 52 -9.893 -0.773 6.929 411 H SER 53 H SER 53 -6.105 1.128 2.716 412 HA SER 53 HA SER 53 -6.448 3.087 0.672 413 1HB SER 53 2HB SER 53 -7.792 4.390 2.061 414 2HB SER 53 3HB SER 53 -6.943 3.899 3.518 415 HG SER 53 HG SER 53 -5.609 5.492 3.233 416 H ILE 54 H ILE 54 -4.652 4.831 0.901 417 HA ILE 54 HA ILE 54 -2.217 3.710 2.127 418 HB ILE 54 HB ILE 54 -2.561 4.563 -0.760 419 1HG1 ILE 54 2HG1 ILE 54 -1.379 2.027 0.411 420 2HG1 ILE 54 3HG1 ILE 54 -3.076 2.173 -0.049 421 1HG2 ILE 54 1HG2 ILE 54 -0.505 5.580 0.012 422 2HG2 ILE 54 2HG2 ILE 54 -0.032 4.107 0.858 423 3HG2 ILE 54 3HG2 ILE 54 -0.070 4.139 -0.906 424 1HD1 ILE 54 1HD1 ILE 54 -0.658 2.443 -1.852 425 2HD1 ILE 54 2HD1 ILE 54 -1.920 1.216 -1.932 426 3HD1 ILE 54 3HD1 ILE 54 -2.292 2.887 -2.350 427 H PHE 55 H PHE 55 -0.570 5.288 2.501 428 HA PHE 55 HA PHE 55 -1.384 8.103 2.200 429 1HB PHE 55 2HB PHE 55 -1.969 7.172 4.510 430 2HB PHE 55 3HB PHE 55 -0.233 7.039 4.779 431 HD1 PHE 55 HD1 PHE 55 1.067 8.939 5.351 432 HD2 PHE 55 HD2 PHE 55 -2.941 9.434 3.900 433 HE1 PHE 55 HE1 PHE 55 1.161 11.353 5.920 434 HE2 PHE 55 HE2 PHE 55 -2.850 11.847 4.465 435 HZ PHE 55 HZ PHE 55 -0.799 12.807 5.475 436 H HIS 56 H HIS 56 0.184 8.885 0.931 437 HA HIS 56 HA HIS 56 2.942 7.955 1.305 438 1HB HIS 56 2HB HIS 56 1.689 8.243 -0.990 439 2HB HIS 56 3HB HIS 56 2.126 9.939 -0.794 440 HD1 HIS 56 HD1 HIS 56 3.379 7.149 -2.457 441 HD2 HIS 56 HD2 HIS 56 5.172 9.868 0.152 442 HE1 HIS 56 HE1 HIS 56 5.878 6.996 -2.864 443 H VAL 57 H VAL 57 4.435 9.139 2.308 444 HA VAL 57 HA VAL 57 4.377 12.014 2.381 445 HB VAL 57 HB VAL 57 2.698 11.261 4.168 446 1HG1 VAL 57 1HG1 VAL 57 3.536 10.333 6.197 447 2HG1 VAL 57 2HG1 VAL 57 4.256 9.361 4.915 448 3HG1 VAL 57 3HG1 VAL 57 5.211 10.607 5.719 449 1HG2 VAL 57 1HG2 VAL 57 3.347 13.050 5.603 450 2HG2 VAL 57 2HG2 VAL 57 5.059 12.818 5.243 451 3HG2 VAL 57 3HG2 VAL 57 3.981 13.484 4.016 452 H MET 58 H MET 58 6.257 12.883 3.607 453 HA MET 58 HA MET 58 8.579 12.900 3.647 454 1HB MET 58 2HB MET 58 7.630 12.067 5.926 455 2HB MET 58 3HB MET 58 8.293 10.508 5.446 456 1HG MET 58 2HG MET 58 10.468 11.890 4.935 457 2HG MET 58 3HG MET 58 9.739 13.088 6.002 458 1HE MET 58 1HE MET 58 10.943 13.216 8.076 459 2HE MET 58 2HE MET 58 12.224 12.518 7.089 460 3HE MET 58 3HE MET 58 11.956 11.915 8.722 461 H ASP 59 H ASP 59 9.899 10.189 4.456 462 HA ASP 59 HA ASP 59 10.327 9.298 1.679 463 1HB ASP 59 2HB ASP 59 12.369 8.162 2.791 464 2HB ASP 59 3HB ASP 59 12.400 9.915 2.613 465 H PHE 60 H PHE 60 7.964 8.431 2.997 466 HA PHE 60 HA PHE 60 8.298 5.577 2.744 467 1HB PHE 60 2HB PHE 60 7.669 4.922 4.958 468 2HB PHE 60 3HB PHE 60 9.018 6.041 5.115 469 HD1 PHE 60 HD1 PHE 60 5.395 5.573 5.605 470 HD2 PHE 60 HD2 PHE 60 8.687 8.307 5.983 471 HE1 PHE 60 HE1 PHE 60 4.014 7.035 7.055 472 HE2 PHE 60 HE2 PHE 60 7.305 9.769 7.429 473 HZ PHE 60 HZ PHE 60 4.968 9.134 7.968 474 H ILE 61 H ILE 61 6.179 4.420 3.192 475 HA ILE 61 HA ILE 61 3.837 6.155 2.758 476 HB ILE 61 HB ILE 61 4.348 3.666 1.116 477 1HG1 ILE 61 2HG1 ILE 61 4.498 5.622 -0.701 478 2HG1 ILE 61 3HG1 ILE 61 5.112 6.526 0.682 479 1HG2 ILE 61 1HG2 ILE 61 2.357 4.149 0.054 480 2HG2 ILE 61 2HG2 ILE 61 1.985 4.788 1.654 481 3HG2 ILE 61 3HG2 ILE 61 2.487 5.881 0.364 482 1HD1 ILE 61 1HD1 ILE 61 7.090 5.616 -0.108 483 2HD1 ILE 61 2HD1 ILE 61 6.600 4.341 1.007 484 3HD1 ILE 61 3HD1 ILE 61 6.300 4.165 -0.722 485 H SER 62 H SER 62 2.053 5.499 3.829 486 HA SER 62 HA SER 62 2.270 3.030 5.407 487 1HB SER 62 2HB SER 62 1.193 4.128 7.052 488 2HB SER 62 3HB SER 62 1.502 5.590 6.121 489 HG SER 62 HG SER 62 -0.562 5.708 5.812 490 H VAL 63 H VAL 63 0.466 1.594 5.558 491 HA VAL 63 HA VAL 63 -1.577 1.815 3.465 492 HB VAL 63 HB VAL 63 0.041 -0.720 3.836 493 1HG1 VAL 63 1HG1 VAL 63 -2.096 0.216 1.912 494 2HG1 VAL 63 2HG1 VAL 63 -1.050 -1.156 1.550 495 3HG1 VAL 63 3HG1 VAL 63 -2.119 -1.207 2.953 496 1HG2 VAL 63 1HG2 VAL 63 0.361 1.577 1.897 497 2HG2 VAL 63 2HG2 VAL 63 1.601 0.776 2.864 498 3HG2 VAL 63 3HG2 VAL 63 0.887 -0.052 1.480 499 H ASP 64 H ASP 64 -3.404 1.719 4.580 500 HA ASP 64 HA ASP 64 -3.541 0.023 6.977 501 1HB ASP 64 2HB ASP 64 -5.552 1.262 7.559 502 2HB ASP 64 3HB ASP 64 -4.238 2.378 7.221 503 H LYS 65 H LYS 65 -5.020 -1.595 7.206 504 HA LYS 65 HA LYS 65 -6.557 -2.347 4.791 505 1HB LYS 65 2HB LYS 65 -6.107 -4.696 5.305 506 2HB LYS 65 3HB LYS 65 -4.592 -3.821 5.092 507 1HG LYS 65 2HG LYS 65 -4.272 -3.664 7.488 508 2HG LYS 65 3HG LYS 65 -5.877 -4.330 7.791 509 1HD LYS 65 2HD LYS 65 -5.041 -6.380 6.428 510 2HD LYS 65 3HD LYS 65 -3.432 -5.732 6.725 511 1HE LYS 65 2HE LYS 65 -5.465 -6.672 8.752 512 2HE LYS 65 3HE LYS 65 -3.812 -7.239 8.522 513 1HZ LYS 65 1HZ LYS 65 -3.178 -5.762 10.026 514 2HZ LYS 65 1HZ LYS 65 -4.749 -5.123 10.142 515 3HZ LYS 65 3HZ LYS 65 -3.664 -4.511 8.990 516 H GLU 66 H GLU 66 -8.080 -4.327 5.604 517 HA GLU 66 HA GLU 66 -9.805 -3.083 7.607 518 1HB GLU 66 2HB GLU 66 -10.404 -5.619 6.097 519 2HB GLU 66 3HB GLU 66 -11.533 -4.430 6.751 520 1HG GLU 66 2HG GLU 66 -10.310 -2.787 5.085 521 2HG GLU 66 3HG GLU 66 -9.843 -4.278 4.270 522 H ASN 67 H ASN 67 -9.988 -3.793 9.647 523 HA ASN 67 HA ASN 67 -8.246 -5.512 10.901 524 1HB ASN 67 2HB ASN 67 -10.091 -3.940 11.870 525 2HB ASN 67 3HB ASN 67 -11.113 -5.374 11.790 526 1HD2 ASN 67 2HD2 ASN 67 -9.808 -7.448 12.725 527 2HD2 ASN 67 1HD2 ASN 67 -9.039 -7.163 14.212 528 H ASP 68 H ASP 68 -11.229 -6.250 9.203 529 HA ASP 68 HA ASP 68 -11.562 -8.937 10.000 530 1HB ASP 68 2HB ASP 68 -12.271 -8.032 7.229 531 2HB ASP 68 3HB ASP 68 -13.162 -9.093 8.315 532 H ALA 69 H ALA 69 -9.592 -7.424 7.513 533 HA ALA 69 HA ALA 69 -8.751 -9.987 6.400 534 1HB ALA 69 1HB ALA 69 -8.900 -8.432 4.691 535 2HB ALA 69 2HB ALA 69 -8.330 -7.106 5.705 536 3HB ALA 69 3HB ALA 69 -7.190 -8.305 5.096 537 H ASN 70 H ASN 70 -6.388 -10.369 6.099 538 HA ASN 70 HA ASN 70 -4.938 -9.744 8.598 539 1HB ASN 70 2HB ASN 70 -4.560 -12.028 6.642 540 2HB ASN 70 3HB ASN 70 -3.644 -11.788 8.129 541 1HD2 ASN 70 2HD2 ASN 70 -5.223 -11.488 10.154 542 2HD2 ASN 70 1HD2 ASN 70 -6.511 -12.592 10.219 543 H TRP 71 H TRP 71 -2.445 -10.003 8.178 544 HA TRP 71 HA TRP 71 -1.783 -8.091 6.047 545 1HB TRP 71 2HB TRP 71 -0.633 -8.767 8.698 546 2HB TRP 71 3HB TRP 71 0.523 -8.341 7.432 547 HD1 TRP 71 HD1 TRP 71 -1.376 -6.744 10.023 548 HE1 TRP 71 HE1 TRP 71 -1.791 -4.248 9.526 549 HE3 TRP 71 HE3 TRP 71 -0.173 -6.630 5.066 550 HZ2 TRP 71 HZ2 TRP 71 -1.636 -2.446 7.308 551 HZ3 TRP 71 HZ3 TRP 71 -0.315 -4.515 3.784 552 HH2 TRP 71 HH2 TRP 71 -1.044 -2.425 4.899 553 H GLU 72 H GLU 72 -0.760 -11.223 7.360 554 HA GLU 72 HA GLU 72 1.319 -11.796 5.596 555 1HB GLU 72 2HB GLU 72 0.779 -14.203 6.106 556 2HB GLU 72 3HB GLU 72 0.984 -13.175 7.522 557 1HG GLU 72 2HG GLU 72 -0.981 -14.337 8.043 558 2HG GLU 72 3HG GLU 72 -1.604 -12.841 7.360 559 H THR 73 H THR 73 -2.079 -11.700 4.986 560 HA THR 73 HA THR 73 -1.917 -13.365 2.602 561 HB THR 73 HB THR 73 -3.948 -13.363 4.066 562 HG1 THR 73 HG1 THR 73 -3.874 -13.738 1.686 563 1HG2 THR 73 1HG2 THR 73 -4.592 -10.680 2.854 564 2HG2 THR 73 2HG2 THR 73 -5.386 -11.499 4.197 565 3HG2 THR 73 3HG2 THR 73 -3.780 -10.808 4.416 566 H VAL 74 H VAL 74 -2.416 -9.992 3.467 567 HA VAL 74 HA VAL 74 -2.527 -9.066 0.756 568 HB VAL 74 HB VAL 74 -2.840 -7.980 3.441 569 1HG1 VAL 74 1HG1 VAL 74 -0.784 -6.758 2.897 570 2HG1 VAL 74 2HG1 VAL 74 -1.477 -6.252 1.357 571 3HG1 VAL 74 3HG1 VAL 74 -2.173 -5.672 2.870 572 1HG2 VAL 74 1HG2 VAL 74 -3.768 -7.047 0.709 573 2HG2 VAL 74 2HG2 VAL 74 -4.610 -8.224 1.715 574 3HG2 VAL 74 3HG2 VAL 74 -4.445 -6.556 2.263 575 H LEU 75 H LEU 75 -0.015 -9.279 3.247 576 HA LEU 75 HA LEU 75 1.965 -7.672 2.223 577 1HB LEU 75 2HB LEU 75 1.844 -9.940 4.028 578 2HB LEU 75 3HB LEU 75 3.344 -9.937 3.103 579 HG LEU 75 HG LEU 75 2.262 -7.506 4.548 580 1HD1 LEU 75 1HD1 LEU 75 2.803 -8.907 6.326 581 2HD1 LEU 75 2HD1 LEU 75 4.078 -9.730 5.429 582 3HD1 LEU 75 3HD1 LEU 75 4.343 -8.096 6.042 583 1HD2 LEU 75 1HD2 LEU 75 3.751 -6.643 3.010 584 2HD2 LEU 75 2HD2 LEU 75 4.895 -7.083 4.275 585 3HD2 LEU 75 3HD2 LEU 75 4.663 -8.149 2.892 586 HA PRO 76 HA PRO 76 3.757 -11.467 -0.391 587 1HB PRO 76 2HB PRO 76 1.376 -12.807 -1.318 588 2HB PRO 76 3HB PRO 76 2.734 -13.483 -0.406 589 1HG PRO 76 2HG PRO 76 0.111 -12.615 0.536 590 2HG PRO 76 3HG PRO 76 1.288 -13.680 1.305 591 1HD PRO 76 2HD PRO 76 0.758 -11.163 2.222 592 2HD PRO 76 3HD PRO 76 2.345 -11.943 2.410 593 H LYS 77 H LYS 77 0.665 -9.829 -0.892 594 HA LYS 77 HA LYS 77 1.044 -9.564 -3.758 595 1HB LYS 77 2HB LYS 77 -0.979 -8.500 -1.789 596 2HB LYS 77 3HB LYS 77 -0.931 -7.924 -3.453 597 1HG LYS 77 2HG LYS 77 -2.438 -9.693 -3.627 598 2HG LYS 77 3HG LYS 77 -0.921 -10.496 -4.037 599 1HD LYS 77 2HD LYS 77 -0.684 -11.231 -1.683 600 2HD LYS 77 3HD LYS 77 -2.221 -10.457 -1.296 601 1HE LYS 77 2HE LYS 77 -1.837 -12.693 -3.310 602 2HE LYS 77 3HE LYS 77 -2.524 -12.874 -1.695 603 1HZ LYS 77 1HZ LYS 77 -4.024 -10.903 -2.651 604 2HZ LYS 77 1HZ LYS 77 -4.437 -12.545 -2.796 605 3HZ LYS 77 3HZ LYS 77 -3.699 -11.736 -4.092 606 H VAL 78 H VAL 78 1.327 -7.529 -0.876 607 HA VAL 78 HA VAL 78 1.854 -5.063 -2.028 608 HB VAL 78 HB VAL 78 2.873 -6.338 0.516 609 1HG1 VAL 78 1HG1 VAL 78 4.571 -4.768 0.192 610 2HG1 VAL 78 2HG1 VAL 78 3.524 -3.674 -0.714 611 3HG1 VAL 78 3HG1 VAL 78 3.367 -3.798 1.038 612 1HG2 VAL 78 1HG2 VAL 78 0.986 -4.005 0.126 613 2HG2 VAL 78 2HG2 VAL 78 0.420 -5.674 0.150 614 3HG2 VAL 78 3HG2 VAL 78 1.214 -4.994 1.568 615 H GLU 79 H GLU 79 4.300 -7.481 -1.024 616 HA GLU 79 HA GLU 79 6.561 -6.164 -1.945 617 1HB GLU 79 2HB GLU 79 6.770 -8.149 -0.593 618 2HB GLU 79 3HB GLU 79 5.981 -9.130 -1.827 619 1HG GLU 79 2HG GLU 79 7.816 -8.898 -3.334 620 2HG GLU 79 3HG GLU 79 8.531 -7.597 -2.383 621 H ALA 80 H ALA 80 4.214 -8.073 -3.744 622 HA ALA 80 HA ALA 80 5.592 -8.512 -6.120 623 1HB ALA 80 1HB ALA 80 2.709 -7.736 -6.252 624 2HB ALA 80 2HB ALA 80 3.554 -9.063 -7.049 625 3HB ALA 80 3HB ALA 80 3.151 -9.176 -5.335 626 H VAL 81 H VAL 81 4.055 -5.581 -4.937 627 HA VAL 81 HA VAL 81 3.897 -4.091 -7.299 628 HB VAL 81 HB VAL 81 4.590 -3.018 -4.550 629 1HG1 VAL 81 1HG1 VAL 81 4.584 -1.579 -6.789 630 2HG1 VAL 81 2HG1 VAL 81 2.838 -1.638 -6.552 631 3HG1 VAL 81 3HG1 VAL 81 3.872 -0.943 -5.306 632 1HG2 VAL 81 1HG2 VAL 81 2.538 -4.627 -4.820 633 2HG2 VAL 81 2HG2 VAL 81 2.322 -3.097 -3.976 634 3HG2 VAL 81 3HG2 VAL 81 1.797 -3.261 -5.651 635 H PHE 82 H PHE 82 6.479 -3.771 -4.842 636 HA PHE 82 HA PHE 82 8.235 -2.529 -6.801 637 1HB PHE 82 2HB PHE 82 9.126 -3.289 -4.039 638 2HB PHE 82 3HB PHE 82 9.561 -1.881 -5.007 639 HD1 PHE 82 HD1 PHE 82 8.282 0.144 -4.899 640 HD2 PHE 82 HD2 PHE 82 6.819 -3.446 -3.044 641 HE1 PHE 82 HE1 PHE 82 6.482 1.443 -3.792 642 HE2 PHE 82 HE2 PHE 82 5.021 -2.146 -1.942 643 HZ PHE 82 HZ PHE 82 4.854 0.295 -2.316 644 H GLU 83 H GLU 83 7.479 -5.371 -7.172 645 HA GLU 83 HA GLU 83 10.117 -6.370 -7.742 646 1HB GLU 83 2HB GLU 83 9.605 -6.900 -5.242 647 2HB GLU 83 3HB GLU 83 8.516 -8.124 -5.897 648 1HG GLU 83 2HG GLU 83 10.386 -9.083 -7.203 649 2HG GLU 83 3HG GLU 83 11.471 -7.866 -6.533 650 H LEU 84 H LEU 84 9.308 -6.448 -9.863 651 HA LEU 84 HA LEU 84 7.953 -8.893 -10.536 652 1HB LEU 84 2HB LEU 84 6.135 -7.538 -11.847 653 2HB LEU 84 3HB LEU 84 5.909 -7.864 -10.129 654 HG LEU 84 HG LEU 84 6.835 -5.631 -9.587 655 1HD1 LEU 84 1HD1 LEU 84 8.316 -5.162 -11.389 656 2HD1 LEU 84 2HD1 LEU 84 7.063 -5.451 -12.598 657 3HD1 LEU 84 3HD1 LEU 84 6.995 -4.012 -11.580 658 1HD2 LEU 84 1HD2 LEU 84 4.585 -5.591 -11.622 659 2HD2 LEU 84 2HD2 LEU 84 4.408 -5.904 -9.895 660 3HD2 LEU 84 3HD2 LEU 84 4.928 -4.316 -10.454 661 H GLU 85 H GLU 85 10.308 -6.879 -11.187 662 HA GLU 85 HA GLU 85 11.349 -6.013 -13.097 663 1HB GLU 85 2HB GLU 85 10.901 -8.921 -13.817 664 2HB GLU 85 3HB GLU 85 12.155 -7.873 -14.474 665 1HG GLU 85 2HG GLU 85 11.861 -8.542 -11.531 666 2HG GLU 85 3HG GLU 85 12.964 -9.366 -12.628 667 H HIS 86 H HIS 86 9.233 -4.791 -13.635 668 HA HIS 86 HA HIS 86 7.485 -5.743 -15.630 669 1HB HIS 86 2HB HIS 86 7.032 -3.754 -14.201 670 2HB HIS 86 3HB HIS 86 8.275 -2.868 -15.083 671 HD1 HIS 86 HD1 HIS 86 6.438 -1.213 -16.015 672 HD2 HIS 86 HD2 HIS 86 5.939 -5.184 -17.190 673 HE1 HIS 86 HE1 HIS 86 4.754 -1.196 -17.909 674 H HIS 87 H HIS 87 9.696 -3.044 -16.196 675 HA HIS 87 HA HIS 87 10.063 -3.911 -18.959 676 1HB HIS 87 2HB HIS 87 11.479 -1.658 -18.872 677 2HB HIS 87 3HB HIS 87 9.720 -1.635 -18.985 678 HD1 HIS 87 HD1 HIS 87 12.400 -1.609 -16.270 679 HD2 HIS 87 HD2 HIS 87 8.513 -0.254 -16.922 680 HE1 HIS 87 HE1 HIS 87 11.765 -0.251 -14.228 681 H HIS 88 H HIS 88 12.534 -3.018 -19.600 682 HA HIS 88 HA HIS 88 14.456 -4.313 -17.793 683 1HB HIS 88 2HB HIS 88 15.444 -5.554 -19.699 684 2HB HIS 88 3HB HIS 88 13.797 -6.073 -19.345 685 HD1 HIS 88 HD1 HIS 88 11.955 -5.481 -21.055 686 HD2 HIS 88 HD2 HIS 88 15.731 -4.101 -22.154 687 HE1 HIS 88 HE1 HIS 88 11.772 -4.736 -23.467 688 H HIS 89 H HIS 89 13.597 -1.737 -19.707 689 HA HIS 89 HA HIS 89 15.919 -0.957 -21.026 690 1HB HIS 89 2HB HIS 89 14.016 0.901 -19.577 691 2HB HIS 89 3HB HIS 89 15.066 1.304 -20.933 692 HD1 HIS 89 HD1 HIS 89 14.572 -0.341 -23.151 693 HD2 HIS 89 HD2 HIS 89 11.478 0.227 -20.416 694 HE1 HIS 89 HE1 HIS 89 12.430 -0.983 -24.346 695 H HIS 90 H HIS 90 17.851 -0.169 -20.412 696 HA HIS 90 HA HIS 90 18.716 -0.396 -17.729 697 1HB HIS 90 2HB HIS 90 19.989 1.062 -20.056 698 2HB HIS 90 3HB HIS 90 20.794 0.672 -18.535 699 HD1 HIS 90 HD1 HIS 90 18.998 -2.176 -18.621 700 HD2 HIS 90 HD2 HIS 90 21.935 -0.815 -21.246 701 HE1 HIS 90 HE1 HIS 90 19.886 -4.218 -19.816 702 H HIS 91 H HIS 91 18.157 0.880 -16.110 703 HA HIS 91 HA HIS 91 17.491 2.724 -14.913 704 1HB HIS 91 2HB HIS 91 19.512 4.049 -16.735 705 2HB HIS 91 3HB HIS 91 18.939 4.682 -15.192 706 HD1 HIS 91 HD1 HIS 91 19.295 2.875 -13.106 707 HD2 HIS 91 HD2 HIS 91 21.759 2.457 -16.440 708 HE1 HIS 91 HE1 HIS 91 21.279 1.489 -12.358 Start of MODEL 5 1 1H MET 1 1HT MET 1 13.153 3.263 -6.441 2 2H MET 1 2HT MET 1 13.947 2.130 -5.455 3 3H MET 1 3HT MET 1 14.138 3.794 -5.167 4 HA MET 1 HA MET 1 12.512 3.623 -3.679 5 1HB MET 1 2HB MET 1 10.999 3.172 -6.264 6 2HB MET 1 3HB MET 1 10.180 3.382 -4.716 7 1HG MET 1 2HG MET 1 10.842 5.604 -4.511 8 2HG MET 1 3HG MET 1 12.260 5.384 -5.536 9 1HE MET 1 1HE MET 1 11.563 7.708 -6.568 10 2HE MET 1 2HE MET 1 10.077 7.764 -5.624 11 3HE MET 1 3HE MET 1 10.017 8.032 -7.363 12 H LYS 2 H LYS 2 13.449 1.689 -2.733 13 HA LYS 2 HA LYS 2 11.769 -0.713 -3.157 14 1HB LYS 2 2HB LYS 2 14.736 -0.561 -2.576 15 2HB LYS 2 3HB LYS 2 13.789 -2.047 -2.517 16 1HG LYS 2 2HG LYS 2 13.653 -0.343 -4.984 17 2HG LYS 2 3HG LYS 2 15.063 -1.372 -4.731 18 1HD LYS 2 2HD LYS 2 12.364 -2.589 -4.313 19 2HD LYS 2 3HD LYS 2 12.881 -2.286 -5.972 20 1HE LYS 2 2HE LYS 2 14.772 -3.635 -4.066 21 2HE LYS 2 3HE LYS 2 13.487 -4.575 -4.822 22 1HZ LYS 2 1HZ LYS 2 14.267 -3.789 -6.987 23 2HZ LYS 2 1HZ LYS 2 15.473 -4.655 -6.159 24 3HZ LYS 2 3HZ LYS 2 15.539 -2.959 -6.232 25 H ILE 3 H ILE 3 11.918 -2.226 -1.222 26 HA ILE 3 HA ILE 3 11.211 -0.711 1.140 27 HB ILE 3 HB ILE 3 11.347 -3.709 0.732 28 1HG1 ILE 3 2HG1 ILE 3 8.931 -1.875 0.602 29 2HG1 ILE 3 3HG1 ILE 3 9.801 -2.419 -0.833 30 1HG2 ILE 3 1HG2 ILE 3 10.115 -1.919 2.845 31 2HG2 ILE 3 2HG2 ILE 3 9.669 -3.613 2.648 32 3HG2 ILE 3 3HG2 ILE 3 11.323 -3.184 3.080 33 1HD1 ILE 3 1HD1 ILE 3 9.197 -4.672 -0.494 34 2HD1 ILE 3 2HD1 ILE 3 8.793 -4.401 1.202 35 3HD1 ILE 3 3HD1 ILE 3 7.732 -3.789 -0.064 36 H ILE 4 H ILE 4 12.513 -0.245 2.785 37 HA ILE 4 HA ILE 4 15.109 -1.648 2.984 38 HB ILE 4 HB ILE 4 14.616 0.950 4.374 39 1HG1 ILE 4 2HG1 ILE 4 13.681 1.274 2.076 40 2HG1 ILE 4 3HG1 ILE 4 15.134 2.230 2.351 41 1HG2 ILE 4 1HG2 ILE 4 17.017 1.254 3.595 42 2HG2 ILE 4 2HG2 ILE 4 16.754 -0.089 4.707 43 3HG2 ILE 4 3HG2 ILE 4 16.944 -0.398 2.981 44 1HD1 ILE 4 1HD1 ILE 4 16.488 0.695 1.094 45 2HD1 ILE 4 2HD1 ILE 4 15.188 -0.493 1.027 46 3HD1 ILE 4 3HD1 ILE 4 15.051 1.013 0.123 47 H SER 5 H SER 5 12.115 -1.067 4.505 48 HA SER 5 HA SER 5 12.651 -2.872 6.640 49 1HB SER 5 2HB SER 5 12.007 -0.863 8.335 50 2HB SER 5 3HB SER 5 13.664 -1.360 8.009 51 HG SER 5 HG SER 5 13.690 0.242 6.347 52 H ILE 6 H ILE 6 10.757 -3.684 7.419 53 HA ILE 6 HA ILE 6 8.300 -2.604 6.243 54 HB ILE 6 HB ILE 6 8.897 -5.217 7.646 55 1HG1 ILE 6 2HG1 ILE 6 8.320 -6.117 5.361 56 2HG1 ILE 6 3HG1 ILE 6 8.265 -4.458 4.775 57 1HG2 ILE 6 1HG2 ILE 6 6.522 -5.744 6.734 58 2HG2 ILE 6 2HG2 ILE 6 6.637 -4.783 8.206 59 3HG2 ILE 6 3HG2 ILE 6 6.316 -3.996 6.660 60 1HD1 ILE 6 1HD1 ILE 6 10.485 -5.860 4.558 61 2HD1 ILE 6 2HD1 ILE 6 10.558 -4.157 5.004 62 3HD1 ILE 6 3HD1 ILE 6 10.703 -5.400 6.246 63 H SER 7 H SER 7 7.775 -0.854 7.505 64 HA SER 7 HA SER 7 7.076 0.324 9.364 65 1HB SER 7 2HB SER 7 5.085 -0.546 10.257 66 2HB SER 7 3HB SER 7 5.190 -1.294 8.669 67 HG SER 7 HG SER 7 6.519 -2.860 10.281 68 H GLU 8 H GLU 8 6.202 -0.974 11.849 69 HA GLU 8 HA GLU 8 8.830 -1.494 13.069 70 1HB GLU 8 2HB GLU 8 6.378 -0.143 14.218 71 2HB GLU 8 3HB GLU 8 7.838 -0.522 15.119 72 1HG GLU 8 2HG GLU 8 9.171 0.945 13.785 73 2HG GLU 8 3HG GLU 8 7.875 1.154 12.609 74 H THR 9 H THR 9 7.054 -2.009 15.523 75 HA THR 9 HA THR 9 6.258 -4.761 14.818 76 HB THR 9 HB THR 9 7.474 -5.650 16.490 77 HG1 THR 9 HG1 THR 9 6.154 -4.627 18.064 78 1HG2 THR 9 1HG2 THR 9 9.557 -4.581 16.806 79 2HG2 THR 9 2HG2 THR 9 8.984 -3.978 15.253 80 3HG2 THR 9 3HG2 THR 9 8.840 -2.974 16.695 81 HA PRO 10 HA PRO 10 3.396 -3.231 18.332 82 1HB PRO 10 2HB PRO 10 3.371 -0.344 18.363 83 2HB PRO 10 3HB PRO 10 3.838 -1.456 19.658 84 1HG PRO 10 2HG PRO 10 5.546 0.207 18.252 85 2HG PRO 10 3HG PRO 10 6.021 -1.179 19.241 86 1HD PRO 10 2HD PRO 10 5.873 -0.945 16.289 87 2HD PRO 10 3HD PRO 10 6.880 -2.010 17.294 88 H ASN 11 H ASN 11 3.603 -2.646 15.196 89 HA ASN 11 HA ASN 11 1.045 -1.258 14.816 90 1HB ASN 11 2HB ASN 11 1.719 -1.717 12.337 91 2HB ASN 11 3HB ASN 11 2.584 -0.483 13.248 92 1HD2 ASN 11 2HD2 ASN 11 2.833 -4.079 12.877 93 2HD2 ASN 11 1HD2 ASN 11 4.518 -4.070 12.675 94 H HIS 12 H HIS 12 -0.428 -2.246 13.114 95 HA HIS 12 HA HIS 12 -0.395 -5.050 12.652 96 1HB HIS 12 2HB HIS 12 -0.911 -5.197 15.036 97 2HB HIS 12 3HB HIS 12 -2.263 -4.084 14.832 98 HD1 HIS 12 HD1 HIS 12 -4.419 -5.329 14.741 99 HD2 HIS 12 HD2 HIS 12 -1.341 -7.482 12.938 100 HE1 HIS 12 HE1 HIS 12 -5.454 -7.472 13.874 101 H ASN 13 H ASN 13 -2.436 -2.177 13.074 102 HA ASN 13 HA ASN 13 -4.291 -3.098 11.017 103 1HB ASN 13 2HB ASN 13 -4.407 -0.362 12.226 104 2HB ASN 13 3HB ASN 13 -5.724 -1.426 11.733 105 1HD2 ASN 13 2HD2 ASN 13 -5.668 -3.640 13.106 106 2HD2 ASN 13 1HD2 ASN 13 -5.461 -3.421 14.777 107 H THR 14 H THR 14 -1.485 -1.129 11.276 108 HA THR 14 HA THR 14 -1.673 -0.481 8.440 109 HB THR 14 HB THR 14 -2.717 1.440 9.730 110 HG1 THR 14 HG1 THR 14 -1.126 1.407 7.708 111 1HG2 THR 14 1HG2 THR 14 0.099 2.166 10.511 112 2HG2 THR 14 2HG2 THR 14 -1.422 2.803 11.134 113 3HG2 THR 14 3HG2 THR 14 -0.895 1.183 11.588 114 H MET 15 H MET 15 0.227 -0.839 7.507 115 HA MET 15 HA MET 15 2.630 -0.965 9.223 116 1HB MET 15 2HB MET 15 1.683 -2.548 6.887 117 2HB MET 15 3HB MET 15 3.415 -2.227 6.979 118 1HG MET 15 2HG MET 15 3.680 -3.421 8.948 119 2HG MET 15 3HG MET 15 2.015 -3.153 9.457 120 1HE MET 15 1HE MET 15 4.008 -4.335 6.527 121 2HE MET 15 2HE MET 15 2.486 -4.374 5.640 122 3HE MET 15 3HE MET 15 3.317 -5.880 6.017 123 H LYS 16 H LYS 16 4.281 0.361 8.861 124 HA LYS 16 HA LYS 16 4.046 2.339 6.715 125 1HB LYS 16 2HB LYS 16 4.548 2.793 9.253 126 2HB LYS 16 3HB LYS 16 6.198 2.364 8.803 127 1HG LYS 16 2HG LYS 16 5.965 4.043 6.891 128 2HG LYS 16 3HG LYS 16 4.492 4.598 7.688 129 1HD LYS 16 2HD LYS 16 7.126 4.402 9.162 130 2HD LYS 16 3HD LYS 16 6.665 5.850 8.268 131 1HE LYS 16 2HE LYS 16 5.144 4.593 10.571 132 2HE LYS 16 3HE LYS 16 5.999 6.133 10.589 133 1HZ LYS 16 1HZ LYS 16 3.919 6.869 10.148 134 2HZ LYS 16 1HZ LYS 16 3.442 5.437 9.366 135 3HZ LYS 16 3HZ LYS 16 4.410 6.570 8.554 136 H ILE 17 H ILE 17 5.149 2.095 4.868 137 HA ILE 17 HA ILE 17 7.336 0.145 4.757 138 HB ILE 17 HB ILE 17 6.031 1.674 2.492 139 1HG1 ILE 17 2HG1 ILE 17 5.516 -1.156 3.462 140 2HG1 ILE 17 3HG1 ILE 17 4.452 0.210 3.789 141 1HG2 ILE 17 1HG2 ILE 17 7.771 -0.816 2.566 142 2HG2 ILE 17 2HG2 ILE 17 7.042 -0.127 1.117 143 3HG2 ILE 17 3HG2 ILE 17 8.281 0.772 1.994 144 1HD1 ILE 17 1HD1 ILE 17 3.619 -1.016 1.847 145 2HD1 ILE 17 2HD1 ILE 17 4.214 0.560 1.327 146 3HD1 ILE 17 3HD1 ILE 17 5.190 -0.883 1.059 147 H THR 18 H THR 18 9.386 0.707 4.752 148 HA THR 18 HA THR 18 10.128 3.530 4.673 149 HB THR 18 HB THR 18 12.035 1.222 4.993 150 HG1 THR 18 HG1 THR 18 11.136 0.767 6.813 151 1HG2 THR 18 1HG2 THR 18 13.141 2.925 6.489 152 2HG2 THR 18 2HG2 THR 18 13.063 3.394 4.791 153 3HG2 THR 18 3HG2 THR 18 11.935 4.096 5.951 154 H LEU 19 H LEU 19 11.244 4.517 3.070 155 HA LEU 19 HA LEU 19 11.909 2.885 0.689 156 1HB LEU 19 2HB LEU 19 11.237 5.834 0.736 157 2HB LEU 19 3HB LEU 19 11.435 4.809 -0.685 158 HG LEU 19 HG LEU 19 9.290 4.470 1.438 159 1HD1 LEU 19 1HD1 LEU 19 9.344 5.760 -1.278 160 2HD1 LEU 19 2HD1 LEU 19 7.856 5.025 -0.683 161 3HD1 LEU 19 3HD1 LEU 19 8.609 6.344 0.214 162 1HD2 LEU 19 1HD2 LEU 19 8.377 2.954 -0.498 163 2HD2 LEU 19 2HD2 LEU 19 10.057 2.924 -1.032 164 3HD2 LEU 19 3HD2 LEU 19 9.628 2.313 0.566 165 H SER 20 H SER 20 13.780 3.509 -0.529 166 HA SER 20 HA SER 20 16.025 4.143 1.097 167 1HB SER 20 2HB SER 20 17.329 3.840 -0.880 168 2HB SER 20 3HB SER 20 16.028 2.656 -0.954 169 HG SER 20 HG SER 20 14.900 4.434 -2.163 170 H GLU 21 H GLU 21 13.679 6.149 0.089 171 HA GLU 21 HA GLU 21 15.361 8.368 -0.766 172 1HB GLU 21 2HB GLU 21 12.401 7.903 -0.540 173 2HB GLU 21 3HB GLU 21 13.019 9.550 -0.645 174 1HG GLU 21 2HG GLU 21 12.442 8.599 -2.880 175 2HG GLU 21 3HG GLU 21 14.141 9.048 -2.752 176 H SER 22 H SER 22 14.761 10.566 0.338 177 HA SER 22 HA SER 22 14.242 10.348 3.198 178 1HB SER 22 2HB SER 22 16.761 9.972 2.721 179 2HB SER 22 3HB SER 22 16.794 11.688 2.332 180 HG SER 22 HG SER 22 16.626 10.433 4.746 181 H ARG 23 H ARG 23 12.404 11.637 2.604 182 HA ARG 23 HA ARG 23 11.272 13.572 1.965 183 1HB ARG 23 2HB ARG 23 11.915 15.476 3.440 184 2HB ARG 23 3HB ARG 23 11.809 13.953 4.318 185 1HG ARG 23 2HG ARG 23 14.201 13.689 4.318 186 2HG ARG 23 3HG ARG 23 14.410 15.042 3.208 187 1HD ARG 23 2HD ARG 23 13.612 16.605 4.890 188 2HD ARG 23 3HD ARG 23 13.224 15.281 5.986 189 HE ARG 23 HE ARG 23 15.882 16.339 5.408 190 1HH1 ARG 23 1HH1 ARG 23 14.353 15.341 8.026 191 2HH1 ARG 23 2HH1 ARG 23 15.426 14.064 8.491 192 1HH2 ARG 23 1HH2 ARG 23 17.110 14.018 5.459 193 2HH2 ARG 23 2HH2 ARG 23 16.977 13.301 7.029 194 H GLU 24 H GLU 24 12.422 16.266 1.963 195 HA GLU 24 HA GLU 24 13.013 17.702 0.228 196 1HB GLU 24 2HB GLU 24 15.308 16.226 1.317 197 2HB GLU 24 3HB GLU 24 15.625 16.923 -0.268 198 1HG GLU 24 2HG GLU 24 16.232 18.585 1.352 199 2HG GLU 24 3HG GLU 24 14.721 19.118 0.620 200 H GLY 25 H GLY 25 11.689 15.286 -0.768 201 1HA GLY 25 1HA GLY 25 12.319 15.549 -3.538 202 2HA GLY 25 2HA GLY 25 12.932 14.027 -2.902 203 H MET 26 H MET 26 10.990 13.305 -1.110 204 HA MET 26 HA MET 26 8.785 12.591 -2.900 205 1HB MET 26 2HB MET 26 9.587 11.614 -0.151 206 2HB MET 26 3HB MET 26 8.157 11.047 -1.014 207 1HG MET 26 2HG MET 26 10.963 10.915 -2.146 208 2HG MET 26 3HG MET 26 10.184 9.577 -1.303 209 1HE MET 26 1HE MET 26 8.335 8.126 -2.175 210 2HE MET 26 2HE MET 26 9.920 7.787 -2.866 211 3HE MET 26 3HE MET 26 8.491 7.735 -3.894 212 H THR 27 H THR 27 7.082 13.894 -2.962 213 HA THR 27 HA THR 27 6.479 15.790 -0.895 214 HB THR 27 HB THR 27 4.557 15.017 -3.079 215 HG1 THR 27 HG1 THR 27 5.749 16.324 -4.470 216 1HG2 THR 27 1HG2 THR 27 5.333 17.786 -2.204 217 2HG2 THR 27 2HG2 THR 27 3.806 17.222 -2.883 218 3HG2 THR 27 3HG2 THR 27 4.225 16.835 -1.216 219 H SER 28 H SER 28 3.476 15.017 -1.626 220 HA SER 28 HA SER 28 3.074 12.683 0.040 221 1HB SER 28 2HB SER 28 1.867 13.756 1.805 222 2HB SER 28 3HB SER 28 3.395 14.614 1.650 223 HG SER 28 HG SER 28 1.083 15.426 0.246 224 H ASP 29 H ASP 29 1.247 11.651 -0.533 225 HA ASP 29 HA ASP 29 -1.014 13.075 -1.665 226 1HB ASP 29 2HB ASP 29 0.877 11.463 -3.323 227 2HB ASP 29 3HB ASP 29 -0.845 11.338 -3.675 228 H THR 30 H THR 30 -2.836 12.078 -1.097 229 HA THR 30 HA THR 30 -2.641 9.373 0.040 230 HB THR 30 HB THR 30 -3.718 10.646 1.631 231 HG1 THR 30 HG1 THR 30 -6.048 10.328 1.255 232 1HG2 THR 30 1HG2 THR 30 -4.920 12.179 -0.682 233 2HG2 THR 30 2HG2 THR 30 -5.439 12.411 0.988 234 3HG2 THR 30 3HG2 THR 30 -3.775 12.765 0.525 235 H TYR 31 H TYR 31 -4.093 7.730 -0.548 236 HA TYR 31 HA TYR 31 -5.575 8.158 -3.067 237 1HB TYR 31 2HB TYR 31 -3.844 5.763 -2.387 238 2HB TYR 31 3HB TYR 31 -4.856 5.921 -3.821 239 HD1 TYR 31 HD1 TYR 31 -1.609 6.454 -2.495 240 HD2 TYR 31 HD2 TYR 31 -4.452 8.088 -5.265 241 HE1 TYR 31 HE1 TYR 31 0.221 7.654 -3.661 242 HE2 TYR 31 HE2 TYR 31 -2.623 9.295 -6.430 243 HH TYR 31 HH TYR 31 -0.090 10.142 -5.502 244 H THR 32 H THR 32 -7.645 7.780 -2.713 245 HA THR 32 HA THR 32 -8.403 5.688 -0.763 246 HB THR 32 HB THR 32 -10.556 7.054 -0.558 247 HG1 THR 32 HG1 THR 32 -10.241 9.272 -1.115 248 1HG2 THR 32 1HG2 THR 32 -9.627 8.437 1.157 249 2HG2 THR 32 2HG2 THR 32 -8.604 7.003 1.088 250 3HG2 THR 32 3HG2 THR 32 -8.063 8.510 0.347 251 H LYS 33 H LYS 33 -8.407 6.623 -3.995 252 HA LYS 33 HA LYS 33 -10.077 4.387 -4.737 253 1HB LYS 33 2HB LYS 33 -11.593 5.810 -6.166 254 2HB LYS 33 3HB LYS 33 -11.853 5.965 -4.431 255 1HG LYS 33 2HG LYS 33 -10.923 8.101 -4.338 256 2HG LYS 33 3HG LYS 33 -9.941 7.847 -5.781 257 1HD LYS 33 2HD LYS 33 -11.716 9.350 -6.404 258 2HD LYS 33 3HD LYS 33 -12.095 7.784 -7.118 259 1HE LYS 33 2HE LYS 33 -13.159 8.471 -4.388 260 2HE LYS 33 3HE LYS 33 -13.972 9.091 -5.825 261 1HZ LYS 33 1HZ LYS 33 -14.815 6.915 -5.002 262 2HZ LYS 33 1HZ LYS 33 -13.321 6.226 -5.421 263 3HZ LYS 33 3HZ LYS 33 -14.314 6.902 -6.621 264 H VAL 34 H VAL 34 -7.426 4.685 -5.193 265 HA VAL 34 HA VAL 34 -5.786 4.713 -6.797 266 HB VAL 34 HB VAL 34 -8.144 4.216 -8.640 267 1HG1 VAL 34 1HG1 VAL 34 -5.152 3.984 -8.958 268 2HG1 VAL 34 2HG1 VAL 34 -6.231 2.950 -9.894 269 3HG1 VAL 34 3HG1 VAL 34 -6.325 4.703 -10.061 270 1HG2 VAL 34 1HG2 VAL 34 -7.857 2.607 -6.686 271 2HG2 VAL 34 2HG2 VAL 34 -7.738 1.867 -8.282 272 3HG2 VAL 34 3HG2 VAL 34 -6.276 2.201 -7.353 273 H ASP 35 H ASP 35 -5.024 5.829 -8.855 274 HA ASP 35 HA ASP 35 -6.419 8.215 -9.671 275 1HB ASP 35 2HB ASP 35 -4.122 8.366 -7.751 276 2HB ASP 35 3HB ASP 35 -4.297 9.618 -8.977 277 H ASP 36 H ASP 36 -2.968 8.399 -9.649 278 HA ASP 36 HA ASP 36 -2.441 6.889 -12.002 279 1HB ASP 36 2HB ASP 36 -3.829 8.667 -13.029 280 2HB ASP 36 3HB ASP 36 -2.701 9.874 -12.416 281 H SER 37 H SER 37 -1.508 9.928 -10.365 282 HA SER 37 HA SER 37 1.169 10.024 -11.017 283 1HB SER 37 2HB SER 37 0.042 10.678 -8.288 284 2HB SER 37 3HB SER 37 1.503 11.339 -9.016 285 HG SER 37 HG SER 37 -0.809 11.556 -10.523 286 H GLN 38 H GLN 38 -0.425 7.635 -9.203 287 HA GLN 38 HA GLN 38 2.000 6.731 -7.829 288 1HB GLN 38 2HB GLN 38 0.580 5.293 -6.597 289 2HB GLN 38 3HB GLN 38 -0.361 6.769 -6.799 290 1HG GLN 38 2HG GLN 38 -1.106 5.478 -9.046 291 2HG GLN 38 3HG GLN 38 -0.772 4.088 -8.019 292 1HE2 GLN 38 2HE2 GLN 38 -1.607 5.173 -5.498 293 2HE2 GLN 38 1HE2 GLN 38 -3.281 5.439 -5.569 294 HA PRO 39 HA PRO 39 3.160 3.833 -10.953 295 1HB PRO 39 2HB PRO 39 3.679 1.688 -9.106 296 2HB PRO 39 3HB PRO 39 4.852 2.745 -9.898 297 1HG PRO 39 2HG PRO 39 3.966 2.762 -7.170 298 2HG PRO 39 3HG PRO 39 5.244 3.715 -7.931 299 1HD PRO 39 2HD PRO 39 2.746 4.669 -7.021 300 2HD PRO 39 3HD PRO 39 3.923 5.557 -8.006 301 H ALA 40 H ALA 40 2.009 2.350 -12.189 302 HA ALA 40 HA ALA 40 -0.614 1.695 -11.699 303 1HB ALA 40 1HB ALA 40 0.615 1.325 -13.859 304 2HB ALA 40 2HB ALA 40 1.325 -0.123 -13.142 305 3HB ALA 40 3HB ALA 40 -0.420 -0.023 -13.382 306 H PHE 41 H PHE 41 2.290 -0.020 -10.733 307 HA PHE 41 HA PHE 41 1.195 -2.365 -9.703 308 1HB PHE 41 2HB PHE 41 3.519 -0.953 -8.412 309 2HB PHE 41 3HB PHE 41 3.263 -2.683 -8.632 310 HD1 PHE 41 HD1 PHE 41 2.620 -3.098 -11.368 311 HD2 PHE 41 HD2 PHE 41 5.316 -0.197 -9.698 312 HE1 PHE 41 HE1 PHE 41 3.845 -2.994 -13.521 313 HE2 PHE 41 HE2 PHE 41 6.541 -0.100 -11.855 314 HZ PHE 41 HZ PHE 41 5.805 -1.498 -13.764 315 H ILE 42 H ILE 42 1.297 0.874 -8.324 316 HA ILE 42 HA ILE 42 0.536 0.031 -5.671 317 HB ILE 42 HB ILE 42 0.935 2.655 -7.052 318 1HG1 ILE 42 2HG1 ILE 42 2.674 1.270 -5.728 319 2HG1 ILE 42 3HG1 ILE 42 2.547 2.987 -5.362 320 1HG2 ILE 42 1HG2 ILE 42 0.106 3.765 -4.904 321 2HG2 ILE 42 2HG2 ILE 42 -1.143 3.148 -5.985 322 3HG2 ILE 42 3HG2 ILE 42 -0.701 2.240 -4.540 323 1HD1 ILE 42 1HD1 ILE 42 1.673 2.618 -3.280 324 2HD1 ILE 42 2HD1 ILE 42 0.779 1.186 -3.793 325 3HD1 ILE 42 3HD1 ILE 42 2.506 1.074 -3.456 326 H ASN 43 H ASN 43 -1.120 0.817 -8.625 327 HA ASN 43 HA ASN 43 -3.649 1.491 -7.556 328 1HB ASN 43 2HB ASN 43 -2.961 0.117 -10.168 329 2HB ASN 43 3HB ASN 43 -4.516 0.831 -9.770 330 1HD2 ASN 43 2HD2 ASN 43 -2.858 3.020 -8.240 331 2HD2 ASN 43 1HD2 ASN 43 -2.393 4.071 -9.488 332 H ASP 44 H ASP 44 -2.082 -1.578 -8.364 333 HA ASP 44 HA ASP 44 -4.273 -3.290 -7.974 334 1HB ASP 44 2HB ASP 44 -1.945 -3.867 -8.882 335 2HB ASP 44 3HB ASP 44 -1.441 -3.986 -7.196 336 H ILE 45 H ILE 45 -1.749 -2.262 -5.669 337 HA ILE 45 HA ILE 45 -2.529 -3.556 -3.384 338 HB ILE 45 HB ILE 45 -1.592 -0.682 -3.630 339 1HG1 ILE 45 2HG1 ILE 45 -0.105 -3.292 -3.180 340 2HG1 ILE 45 3HG1 ILE 45 -0.057 -2.316 -4.647 341 1HG2 ILE 45 1HG2 ILE 45 -0.876 -0.919 -1.302 342 2HG2 ILE 45 2HG2 ILE 45 -2.610 -1.209 -1.416 343 3HG2 ILE 45 3HG2 ILE 45 -1.498 -2.569 -1.254 344 1HD1 ILE 45 1HD1 ILE 45 0.558 -0.642 -2.383 345 2HD1 ILE 45 2HD1 ILE 45 1.592 -2.069 -2.348 346 3HD1 ILE 45 3HD1 ILE 45 1.572 -1.030 -3.772 347 H LEU 46 H LEU 46 -3.741 -0.386 -4.480 348 HA LEU 46 HA LEU 46 -5.668 -0.058 -2.446 349 1HB LEU 46 2HB LEU 46 -5.528 1.051 -5.260 350 2HB LEU 46 3HB LEU 46 -6.725 1.555 -4.066 351 HG LEU 46 HG LEU 46 -3.795 1.609 -3.375 352 1HD1 LEU 46 1HD1 LEU 46 -3.735 3.966 -4.127 353 2HD1 LEU 46 2HD1 LEU 46 -3.999 2.865 -5.478 354 3HD1 LEU 46 3HD1 LEU 46 -5.350 3.782 -4.809 355 1HD2 LEU 46 1HD2 LEU 46 -5.358 1.948 -1.544 356 2HD2 LEU 46 2HD2 LEU 46 -4.627 3.505 -1.933 357 3HD2 LEU 46 3HD2 LEU 46 -6.264 3.136 -2.481 358 H LYS 47 H LYS 47 -5.784 -1.614 -5.609 359 HA LYS 47 HA LYS 47 -8.614 -2.225 -5.375 360 1HB LYS 47 2HB LYS 47 -6.500 -2.893 -7.426 361 2HB LYS 47 3HB LYS 47 -8.152 -3.503 -7.522 362 1HG LYS 47 2HG LYS 47 -8.914 -1.066 -7.310 363 2HG LYS 47 3HG LYS 47 -7.235 -0.618 -7.597 364 1HD LYS 47 2HD LYS 47 -7.833 -0.664 -9.794 365 2HD LYS 47 3HD LYS 47 -7.651 -2.410 -9.624 366 1HE LYS 47 2HE LYS 47 -10.121 -2.399 -8.848 367 2HE LYS 47 3HE LYS 47 -10.188 -0.774 -9.530 368 1HZ LYS 47 1HZ LYS 47 -9.097 -2.992 -11.128 369 2HZ LYS 47 1HZ LYS 47 -9.823 -1.548 -11.651 370 3HZ LYS 47 3HZ LYS 47 -10.776 -2.795 -11.002 371 H VAL 48 H VAL 48 -5.801 -3.557 -4.113 372 HA VAL 48 HA VAL 48 -6.535 -6.346 -4.334 373 HB VAL 48 HB VAL 48 -4.333 -4.824 -2.976 374 1HG1 VAL 48 1HG1 VAL 48 -5.204 -7.660 -2.379 375 2HG1 VAL 48 2HG1 VAL 48 -3.546 -7.116 -2.133 376 3HG1 VAL 48 3HG1 VAL 48 -4.862 -6.365 -1.231 377 1HG2 VAL 48 1HG2 VAL 48 -4.358 -5.723 -5.411 378 2HG2 VAL 48 2HG2 VAL 48 -2.947 -6.086 -4.418 379 3HG2 VAL 48 3HG2 VAL 48 -4.184 -7.314 -4.673 380 H GLU 49 H GLU 49 -8.055 -7.284 -3.165 381 HA GLU 49 HA GLU 49 -9.564 -6.089 -1.165 382 1HB GLU 49 2HB GLU 49 -9.042 -8.992 -1.808 383 2HB GLU 49 3HB GLU 49 -10.151 -8.502 -0.528 384 1HG GLU 49 2HG GLU 49 -11.424 -8.839 -2.577 385 2HG GLU 49 3HG GLU 49 -11.402 -7.118 -2.197 386 H GLY 50 H GLY 50 -9.204 -5.607 0.901 387 1HA GLY 50 1HA GLY 50 -8.453 -6.609 3.090 388 2HA GLY 50 2HA GLY 50 -6.910 -6.871 2.283 389 H VAL 51 H VAL 51 -6.816 -4.439 0.823 390 HA VAL 51 HA VAL 51 -5.861 -2.669 2.904 391 HB VAL 51 HB VAL 51 -6.034 -2.086 -0.058 392 1HG1 VAL 51 1HG1 VAL 51 -4.110 -1.151 2.099 393 2HG1 VAL 51 2HG1 VAL 51 -4.132 -0.619 0.417 394 3HG1 VAL 51 3HG1 VAL 51 -5.469 -0.207 1.489 395 1HG2 VAL 51 1HG2 VAL 51 -3.654 -2.977 -0.082 396 2HG2 VAL 51 2HG2 VAL 51 -3.969 -3.655 1.515 397 3HG2 VAL 51 3HG2 VAL 51 -4.901 -4.205 0.121 398 H LYS 52 H LYS 52 -6.596 -0.593 3.354 399 HA LYS 52 HA LYS 52 -9.389 -0.056 2.552 400 1HB LYS 52 2HB LYS 52 -9.040 -0.415 4.968 401 2HB LYS 52 3HB LYS 52 -7.870 0.905 4.992 402 1HG LYS 52 2HG LYS 52 -9.660 2.445 4.156 403 2HG LYS 52 3HG LYS 52 -10.817 1.119 4.289 404 1HD LYS 52 2HD LYS 52 -9.126 1.897 6.658 405 2HD LYS 52 3HD LYS 52 -10.592 2.801 6.279 406 1HE LYS 52 2HE LYS 52 -10.837 -0.165 6.274 407 2HE LYS 52 3HE LYS 52 -10.601 0.598 7.845 408 1HZ LYS 52 1HZ LYS 52 -12.494 1.961 7.510 409 2HZ LYS 52 1HZ LYS 52 -12.961 0.368 7.143 410 3HZ LYS 52 3HZ LYS 52 -12.653 1.476 5.892 411 H SER 53 H SER 53 -6.156 1.332 2.852 412 HA SER 53 HA SER 53 -6.607 3.233 0.784 413 1HB SER 53 2HB SER 53 -7.945 4.357 2.542 414 2HB SER 53 3HB SER 53 -6.539 4.365 3.598 415 HG SER 53 HG SER 53 -5.812 6.025 2.550 416 H ILE 54 H ILE 54 -4.777 5.022 0.945 417 HA ILE 54 HA ILE 54 -2.335 3.987 2.190 418 HB ILE 54 HB ILE 54 -2.509 4.535 -0.789 419 1HG1 ILE 54 2HG1 ILE 54 -2.027 1.946 0.729 420 2HG1 ILE 54 3HG1 ILE 54 -3.532 2.372 -0.084 421 1HG2 ILE 54 1HG2 ILE 54 -0.226 3.722 1.041 422 2HG2 ILE 54 2HG2 ILE 54 -0.141 3.664 -0.721 423 3HG2 ILE 54 3HG2 ILE 54 -0.352 5.210 0.101 424 1HD1 ILE 54 1HD1 ILE 54 -0.833 1.840 -1.326 425 2HD1 ILE 54 2HD1 ILE 54 -2.363 1.025 -1.648 426 3HD1 ILE 54 3HD1 ILE 54 -2.115 2.678 -2.202 427 H PHE 55 H PHE 55 -0.933 5.580 2.765 428 HA PHE 55 HA PHE 55 -1.552 8.337 1.877 429 1HB PHE 55 2HB PHE 55 -2.385 8.126 4.131 430 2HB PHE 55 3HB PHE 55 -0.894 7.351 4.665 431 HD1 PHE 55 HD1 PHE 55 0.457 8.735 5.962 432 HD2 PHE 55 HD2 PHE 55 -1.758 10.450 2.702 433 HE1 PHE 55 HE1 PHE 55 1.436 10.956 6.464 434 HE2 PHE 55 HE2 PHE 55 -0.775 12.667 3.205 435 HZ PHE 55 HZ PHE 55 0.823 12.921 5.083 436 H HIS 56 H HIS 56 0.106 9.006 0.683 437 HA HIS 56 HA HIS 56 2.804 7.989 1.207 438 1HB HIS 56 2HB HIS 56 2.073 7.955 -1.109 439 2HB HIS 56 3HB HIS 56 1.682 9.673 -1.043 440 HD1 HIS 56 HD1 HIS 56 3.441 10.292 -2.852 441 HD2 HIS 56 HD2 HIS 56 5.078 8.435 0.500 442 HE1 HIS 56 HE1 HIS 56 5.949 10.617 -3.004 443 H VAL 57 H VAL 57 4.355 9.146 2.150 444 HA VAL 57 HA VAL 57 4.433 12.017 2.108 445 HB VAL 57 HB VAL 57 2.706 11.315 3.936 446 1HG1 VAL 57 1HG1 VAL 57 4.315 9.576 4.870 447 2HG1 VAL 57 2HG1 VAL 57 5.274 10.922 5.487 448 3HG1 VAL 57 3HG1 VAL 57 3.623 10.683 6.056 449 1HG2 VAL 57 1HG2 VAL 57 5.036 13.202 4.341 450 2HG2 VAL 57 2HG2 VAL 57 3.411 13.590 3.777 451 3HG2 VAL 57 3HG2 VAL 57 3.674 13.129 5.458 452 H MET 58 H MET 58 6.401 12.837 3.103 453 HA MET 58 HA MET 58 8.710 12.691 3.196 454 1HB MET 58 2HB MET 58 7.606 11.936 5.523 455 2HB MET 58 3HB MET 58 8.460 10.444 5.135 456 1HG MET 58 2HG MET 58 10.561 11.661 4.901 457 2HG MET 58 3HG MET 58 9.733 13.195 5.153 458 1HE MET 58 1HE MET 58 12.231 12.600 6.925 459 2HE MET 58 2HE MET 58 11.557 13.215 8.432 460 3HE MET 58 3HE MET 58 11.154 14.004 6.910 461 H ASP 59 H ASP 59 9.949 10.038 4.150 462 HA ASP 59 HA ASP 59 10.171 8.876 1.455 463 1HB ASP 59 2HB ASP 59 12.230 7.822 2.324 464 2HB ASP 59 3HB ASP 59 12.271 9.577 2.451 465 H PHE 60 H PHE 60 7.917 8.331 3.342 466 HA PHE 60 HA PHE 60 8.122 5.411 3.222 467 1HB PHE 60 2HB PHE 60 7.494 5.041 5.484 468 2HB PHE 60 3HB PHE 60 8.801 6.220 5.542 469 HD1 PHE 60 HD1 PHE 60 8.461 8.393 6.460 470 HD2 PHE 60 HD2 PHE 60 5.088 5.858 5.636 471 HE1 PHE 60 HE1 PHE 60 6.974 9.964 7.673 472 HE2 PHE 60 HE2 PHE 60 3.610 7.433 6.846 473 HZ PHE 60 HZ PHE 60 4.552 9.483 7.869 474 H ILE 61 H ILE 61 5.954 4.387 3.764 475 HA ILE 61 HA ILE 61 3.695 6.124 3.009 476 HB ILE 61 HB ILE 61 4.113 3.378 1.813 477 1HG1 ILE 61 2HG1 ILE 61 4.711 6.089 0.568 478 2HG1 ILE 61 3HG1 ILE 61 5.929 4.925 1.082 479 1HG2 ILE 61 1HG2 ILE 61 2.334 5.706 1.021 480 2HG2 ILE 61 2HG2 ILE 61 2.342 4.101 0.292 481 3HG2 ILE 61 3HG2 ILE 61 1.796 4.313 1.956 482 1HD1 ILE 61 1HD1 ILE 61 3.854 4.547 -1.093 483 2HD1 ILE 61 2HD1 ILE 61 5.601 4.651 -1.298 484 3HD1 ILE 61 3HD1 ILE 61 4.891 3.252 -0.491 485 H SER 62 H SER 62 1.832 5.689 4.079 486 HA SER 62 HA SER 62 1.922 3.518 6.063 487 1HB SER 62 2HB SER 62 -0.252 5.544 6.114 488 2HB SER 62 3HB SER 62 0.640 4.813 7.446 489 HG SER 62 HG SER 62 1.519 6.820 5.642 490 H VAL 63 H VAL 63 1.033 1.691 5.356 491 HA VAL 63 HA VAL 63 -1.287 1.797 3.549 492 HB VAL 63 HB VAL 63 0.424 -0.561 4.405 493 1HG1 VAL 63 1HG1 VAL 63 -1.801 -1.266 3.694 494 2HG1 VAL 63 2HG1 VAL 63 -1.704 -0.242 2.261 495 3HG1 VAL 63 3HG1 VAL 63 -0.647 -1.644 2.415 496 1HG2 VAL 63 1HG2 VAL 63 0.436 1.098 1.861 497 2HG2 VAL 63 2HG2 VAL 63 1.701 1.086 3.090 498 3HG2 VAL 63 3HG2 VAL 63 1.391 -0.360 2.131 499 H ASP 64 H ASP 64 -3.220 1.846 4.568 500 HA ASP 64 HA ASP 64 -3.451 0.380 7.122 501 1HB ASP 64 2HB ASP 64 -5.364 1.752 7.648 502 2HB ASP 64 3HB ASP 64 -4.042 2.807 7.166 503 H LYS 65 H LYS 65 -4.751 -1.306 7.347 504 HA LYS 65 HA LYS 65 -6.471 -2.055 5.059 505 1HB LYS 65 2HB LYS 65 -5.981 -4.430 5.689 506 2HB LYS 65 3HB LYS 65 -4.568 -3.549 5.110 507 1HG LYS 65 2HG LYS 65 -3.685 -3.307 7.301 508 2HG LYS 65 3HG LYS 65 -5.225 -3.717 8.056 509 1HD LYS 65 2HD LYS 65 -4.957 -6.012 6.868 510 2HD LYS 65 3HD LYS 65 -3.269 -5.545 6.666 511 1HE LYS 65 2HE LYS 65 -3.051 -5.236 9.097 512 2HE LYS 65 3HE LYS 65 -4.744 -5.670 9.314 513 1HZ LYS 65 1HZ LYS 65 -3.061 -7.497 9.663 514 2HZ LYS 65 1HZ LYS 65 -2.805 -7.473 7.983 515 3HZ LYS 65 3HZ LYS 65 -4.339 -7.854 8.607 516 H GLU 66 H GLU 66 -7.834 -4.110 6.035 517 HA GLU 66 HA GLU 66 -9.425 -2.883 8.174 518 1HB GLU 66 2HB GLU 66 -10.187 -5.352 6.623 519 2HB GLU 66 3HB GLU 66 -11.236 -4.172 7.411 520 1HG GLU 66 2HG GLU 66 -10.553 -2.462 5.758 521 2HG GLU 66 3HG GLU 66 -9.513 -3.645 4.968 522 H ASN 67 H ASN 67 -9.354 -3.647 10.198 523 HA ASN 67 HA ASN 67 -7.525 -5.432 11.188 524 1HB ASN 67 2HB ASN 67 -9.030 -3.906 12.514 525 2HB ASN 67 3HB ASN 67 -10.312 -5.097 12.311 526 1HD2 ASN 67 2HD2 ASN 67 -6.793 -5.572 13.007 527 2HD2 ASN 67 1HD2 ASN 67 -7.056 -6.442 14.442 528 H ASP 68 H ASP 68 -10.478 -6.119 9.530 529 HA ASP 68 HA ASP 68 -10.847 -8.812 10.370 530 1HB ASP 68 2HB ASP 68 -11.708 -7.411 7.832 531 2HB ASP 68 3HB ASP 68 -12.314 -8.966 8.392 532 H ALA 69 H ALA 69 -8.991 -7.294 7.782 533 HA ALA 69 HA ALA 69 -8.269 -9.862 6.612 534 1HB ALA 69 1HB ALA 69 -7.633 -6.994 5.947 535 2HB ALA 69 2HB ALA 69 -6.799 -8.332 5.157 536 3HB ALA 69 3HB ALA 69 -8.548 -8.164 4.998 537 H ASN 70 H ASN 70 -5.970 -10.390 6.243 538 HA ASN 70 HA ASN 70 -4.334 -9.704 8.609 539 1HB ASN 70 2HB ASN 70 -3.915 -12.133 6.882 540 2HB ASN 70 3HB ASN 70 -3.418 -11.870 8.552 541 1HD2 ASN 70 2HD2 ASN 70 -4.802 -12.726 10.129 542 2HD2 ASN 70 1HD2 ASN 70 -6.404 -13.210 9.841 543 H TRP 71 H TRP 71 -1.898 -10.086 8.112 544 HA TRP 71 HA TRP 71 -1.239 -8.406 5.805 545 1HB TRP 71 2HB TRP 71 0.209 -9.252 8.294 546 2HB TRP 71 3HB TRP 71 1.112 -8.623 6.918 547 HD1 TRP 71 HD1 TRP 71 -0.442 -7.464 9.953 548 HE1 TRP 71 HE1 TRP 71 -0.973 -4.945 9.859 549 HE3 TRP 71 HE3 TRP 71 0.043 -6.645 4.935 550 HZ2 TRP 71 HZ2 TRP 71 -1.181 -2.859 7.913 551 HZ3 TRP 71 HZ3 TRP 71 -0.329 -4.383 3.989 552 HH2 TRP 71 HH2 TRP 71 -0.937 -2.492 5.472 553 H GLU 72 H GLU 72 -0.263 -11.535 7.202 554 HA GLU 72 HA GLU 72 1.609 -12.349 5.351 555 1HB GLU 72 2HB GLU 72 0.870 -14.691 5.924 556 2HB GLU 72 3HB GLU 72 1.222 -13.664 7.312 557 1HG GLU 72 2HG GLU 72 -1.096 -13.289 7.750 558 2HG GLU 72 3HG GLU 72 -1.572 -13.967 6.194 559 H THR 73 H THR 73 -1.806 -12.004 4.872 560 HA THR 73 HA THR 73 -1.820 -13.668 2.470 561 HB THR 73 HB THR 73 -3.759 -13.499 4.153 562 HG1 THR 73 HG1 THR 73 -5.244 -13.654 2.421 563 1HG2 THR 73 1HG2 THR 73 -5.278 -11.661 3.930 564 2HG2 THR 73 2HG2 THR 73 -3.682 -10.955 4.169 565 3HG2 THR 73 3HG2 THR 73 -4.392 -11.006 2.555 566 H VAL 74 H VAL 74 -2.166 -10.285 3.396 567 HA VAL 74 HA VAL 74 -2.404 -9.342 0.695 568 HB VAL 74 HB VAL 74 -2.598 -8.269 3.396 569 1HG1 VAL 74 1HG1 VAL 74 -1.959 -5.954 2.798 570 2HG1 VAL 74 2HG1 VAL 74 -0.568 -7.036 2.781 571 3HG1 VAL 74 3HG1 VAL 74 -1.318 -6.537 1.264 572 1HG2 VAL 74 1HG2 VAL 74 -4.215 -6.790 2.266 573 2HG2 VAL 74 2HG2 VAL 74 -3.638 -7.354 0.699 574 3HG2 VAL 74 3HG2 VAL 74 -4.459 -8.471 1.791 575 H LEU 75 H LEU 75 0.208 -9.566 3.073 576 HA LEU 75 HA LEU 75 2.140 -7.962 1.966 577 1HB LEU 75 2HB LEU 75 2.104 -10.186 3.799 578 2HB LEU 75 3HB LEU 75 3.517 -10.292 2.754 579 HG LEU 75 HG LEU 75 2.735 -7.710 4.117 580 1HD1 LEU 75 1HD1 LEU 75 4.393 -8.280 5.860 581 2HD1 LEU 75 2HD1 LEU 75 3.069 -9.445 5.847 582 3HD1 LEU 75 3HD1 LEU 75 4.622 -9.866 5.123 583 1HD2 LEU 75 1HD2 LEU 75 5.347 -8.790 2.999 584 2HD2 LEU 75 2HD2 LEU 75 4.314 -7.601 2.208 585 3HD2 LEU 75 3HD2 LEU 75 5.125 -7.196 3.722 586 HA PRO 76 HA PRO 76 3.745 -11.769 -0.762 587 1HB PRO 76 2HB PRO 76 1.294 -13.062 -1.559 588 2HB PRO 76 3HB PRO 76 2.692 -13.767 -0.731 589 1HG PRO 76 2HG PRO 76 0.138 -12.878 0.361 590 2HG PRO 76 3HG PRO 76 1.354 -13.951 1.066 591 1HD PRO 76 2HD PRO 76 0.881 -11.420 1.995 592 2HD PRO 76 3HD PRO 76 2.463 -12.219 2.125 593 H LYS 77 H LYS 77 0.665 -10.072 -1.082 594 HA LYS 77 HA LYS 77 0.912 -9.781 -3.962 595 1HB LYS 77 2HB LYS 77 -1.032 -8.876 -1.868 596 2HB LYS 77 3HB LYS 77 -1.010 -8.054 -3.426 597 1HG LYS 77 2HG LYS 77 -1.668 -9.955 -4.597 598 2HG LYS 77 3HG LYS 77 -1.044 -11.056 -3.368 599 1HD LYS 77 2HD LYS 77 -2.857 -10.278 -1.823 600 2HD LYS 77 3HD LYS 77 -3.516 -9.312 -3.144 601 1HE LYS 77 2HE LYS 77 -3.009 -12.257 -3.535 602 2HE LYS 77 3HE LYS 77 -4.485 -11.709 -2.738 603 1HZ LYS 77 1HZ LYS 77 -4.499 -12.001 -5.269 604 2HZ LYS 77 1HZ LYS 77 -3.635 -10.539 -5.310 605 3HZ LYS 77 3HZ LYS 77 -5.188 -10.592 -4.622 606 H VAL 78 H VAL 78 1.370 -7.798 -1.059 607 HA VAL 78 HA VAL 78 1.901 -5.325 -2.255 608 HB VAL 78 HB VAL 78 3.039 -6.518 0.290 609 1HG1 VAL 78 1HG1 VAL 78 4.478 -4.711 -0.238 610 2HG1 VAL 78 2HG1 VAL 78 3.161 -3.736 -0.890 611 3HG1 VAL 78 3HG1 VAL 78 3.284 -4.005 0.850 612 1HG2 VAL 78 1HG2 VAL 78 1.262 -4.751 1.154 613 2HG2 VAL 78 2HG2 VAL 78 0.548 -5.003 -0.439 614 3HG2 VAL 78 3HG2 VAL 78 0.749 -6.364 0.667 615 H GLU 79 H GLU 79 4.252 -7.825 -1.231 616 HA GLU 79 HA GLU 79 6.581 -6.587 -2.073 617 1HB GLU 79 2HB GLU 79 6.383 -8.771 -0.816 618 2HB GLU 79 3HB GLU 79 6.046 -9.549 -2.361 619 1HG GLU 79 2HG GLU 79 8.196 -8.943 -3.239 620 2HG GLU 79 3HG GLU 79 8.510 -7.849 -1.893 621 H ALA 80 H ALA 80 4.295 -8.509 -3.960 622 HA ALA 80 HA ALA 80 5.664 -8.766 -6.357 623 1HB ALA 80 1HB ALA 80 3.611 -9.294 -7.323 624 2HB ALA 80 2HB ALA 80 3.301 -9.613 -5.617 625 3HB ALA 80 3HB ALA 80 2.733 -8.114 -6.350 626 H VAL 81 H VAL 81 4.002 -5.973 -5.032 627 HA VAL 81 HA VAL 81 3.808 -4.377 -7.329 628 HB VAL 81 HB VAL 81 4.329 -3.443 -4.493 629 1HG1 VAL 81 1HG1 VAL 81 2.672 -2.034 -6.570 630 2HG1 VAL 81 2HG1 VAL 81 3.471 -1.365 -5.150 631 3HG1 VAL 81 3HG1 VAL 81 4.422 -1.834 -6.559 632 1HG2 VAL 81 1HG2 VAL 81 1.922 -3.474 -4.197 633 2HG2 VAL 81 2HG2 VAL 81 1.673 -3.968 -5.871 634 3HG2 VAL 81 3HG2 VAL 81 2.422 -5.077 -4.722 635 H PHE 82 H PHE 82 6.296 -4.097 -4.767 636 HA PHE 82 HA PHE 82 8.040 -2.624 -6.563 637 1HB PHE 82 2HB PHE 82 8.931 -3.609 -3.878 638 2HB PHE 82 3HB PHE 82 9.292 -2.086 -4.691 639 HD1 PHE 82 HD1 PHE 82 7.119 -3.779 -2.364 640 HD2 PHE 82 HD2 PHE 82 7.404 -0.375 -4.972 641 HE1 PHE 82 HE1 PHE 82 5.254 -2.689 -1.148 642 HE2 PHE 82 HE2 PHE 82 5.538 0.710 -3.756 643 HZ PHE 82 HZ PHE 82 4.463 -0.448 -1.846 644 H GLU 83 H GLU 83 7.347 -5.539 -7.022 645 HA GLU 83 HA GLU 83 10.031 -6.388 -7.704 646 1HB GLU 83 2HB GLU 83 8.345 -8.016 -5.783 647 2HB GLU 83 3HB GLU 83 9.791 -8.604 -6.597 648 1HG GLU 83 2HG GLU 83 11.014 -6.605 -5.550 649 2HG GLU 83 3HG GLU 83 9.587 -6.396 -4.538 650 H LEU 84 H LEU 84 9.392 -6.385 -9.818 651 HA LEU 84 HA LEU 84 7.940 -8.705 -10.713 652 1HB LEU 84 2HB LEU 84 6.467 -6.990 -12.194 653 2HB LEU 84 3HB LEU 84 5.918 -7.665 -10.670 654 HG LEU 84 HG LEU 84 6.788 -5.664 -9.479 655 1HD1 LEU 84 1HD1 LEU 84 7.555 -3.722 -10.700 656 2HD1 LEU 84 2HD1 LEU 84 8.535 -5.095 -11.210 657 3HD1 LEU 84 3HD1 LEU 84 7.236 -4.508 -12.246 658 1HD2 LEU 84 1HD2 LEU 84 4.427 -5.888 -10.514 659 2HD2 LEU 84 2HD2 LEU 84 4.960 -4.275 -10.042 660 3HD2 LEU 84 3HD2 LEU 84 5.003 -4.756 -11.738 661 H GLU 85 H GLU 85 7.740 -6.082 -12.902 662 HA GLU 85 HA GLU 85 8.740 -5.825 -14.965 663 1HB GLU 85 2HB GLU 85 10.978 -5.764 -12.953 664 2HB GLU 85 3HB GLU 85 11.318 -5.568 -14.672 665 1HG GLU 85 2HG GLU 85 9.247 -3.907 -13.217 666 2HG GLU 85 3HG GLU 85 10.929 -3.409 -13.383 667 H HIS 86 H HIS 86 11.218 -6.719 -15.941 668 HA HIS 86 HA HIS 86 10.533 -9.448 -16.609 669 1HB HIS 86 2HB HIS 86 12.944 -7.784 -17.396 670 2HB HIS 86 3HB HIS 86 12.487 -9.332 -18.105 671 HD1 HIS 86 HD1 HIS 86 11.338 -8.985 -20.288 672 HD2 HIS 86 HD2 HIS 86 10.388 -5.966 -17.573 673 HE1 HIS 86 HE1 HIS 86 9.711 -7.440 -21.469 674 H HIS 87 H HIS 87 11.807 -11.295 -16.185 675 HA HIS 87 HA HIS 87 13.194 -11.203 -13.638 676 1HB HIS 87 2HB HIS 87 11.677 -13.071 -14.178 677 2HB HIS 87 3HB HIS 87 12.708 -13.515 -15.538 678 HD1 HIS 87 HD1 HIS 87 15.459 -13.583 -14.527 679 HD2 HIS 87 HD2 HIS 87 12.285 -14.737 -12.081 680 HE1 HIS 87 HE1 HIS 87 16.449 -15.038 -12.709 681 H HIS 88 H HIS 88 13.998 -12.255 -16.943 682 HA HIS 88 HA HIS 88 15.973 -12.300 -18.091 683 1HB HIS 88 2HB HIS 88 16.050 -9.892 -17.065 684 2HB HIS 88 3HB HIS 88 17.284 -10.579 -16.007 685 HD1 HIS 88 HD1 HIS 88 17.740 -12.510 -18.877 686 HD2 HIS 88 HD2 HIS 88 18.589 -8.517 -18.044 687 HE1 HIS 88 HE1 HIS 88 19.488 -11.786 -20.558 688 H HIS 89 H HIS 89 16.929 -14.208 -18.051 689 HA HIS 89 HA HIS 89 17.729 -15.518 -15.630 690 1HB HIS 89 2HB HIS 89 18.717 -16.453 -18.287 691 2HB HIS 89 3HB HIS 89 18.063 -17.380 -16.938 692 HD1 HIS 89 HD1 HIS 89 15.360 -16.779 -16.490 693 HD2 HIS 89 HD2 HIS 89 16.869 -16.185 -20.330 694 HE1 HIS 89 HE1 HIS 89 13.359 -16.681 -18.039 695 H HIS 90 H HIS 90 19.429 -14.758 -14.519 696 HA HIS 90 HA HIS 90 22.061 -14.919 -15.586 697 1HB HIS 90 2HB HIS 90 21.254 -12.758 -16.625 698 2HB HIS 90 3HB HIS 90 21.129 -12.100 -14.995 699 HD1 HIS 90 HD1 HIS 90 23.908 -14.434 -15.249 700 HD2 HIS 90 HD2 HIS 90 23.355 -10.371 -15.999 701 HE1 HIS 90 HE1 HIS 90 26.218 -13.402 -15.339 702 H HIS 91 H HIS 91 19.955 -14.993 -13.107 703 HA HIS 91 HA HIS 91 21.327 -13.789 -10.947 704 1HB HIS 91 2HB HIS 91 18.917 -14.768 -11.064 705 2HB HIS 91 3HB HIS 91 19.691 -16.288 -10.614 706 HD1 HIS 91 HD1 HIS 91 20.558 -16.526 -8.222 707 HD2 HIS 91 HD2 HIS 91 19.153 -12.690 -9.060 708 HE1 HIS 91 HE1 HIS 91 20.486 -15.289 -6.010 Start of MODEL 6 1 1H MET 1 1HT MET 1 13.746 2.873 -7.083 2 2H MET 1 2HT MET 1 13.939 1.325 -6.410 3 3H MET 1 3HT MET 1 14.909 2.614 -5.877 4 HA MET 1 HA MET 1 13.454 3.016 -4.276 5 1HB MET 1 2HB MET 1 11.778 3.589 -6.720 6 2HB MET 1 3HB MET 1 11.115 3.790 -5.099 7 1HG MET 1 2HG MET 1 12.009 5.925 -5.783 8 2HG MET 1 3HG MET 1 13.092 5.265 -4.560 9 1HE MET 1 1HE MET 1 15.473 6.174 -5.028 10 2HE MET 1 2HE MET 1 16.373 5.038 -6.030 11 3HE MET 1 3HE MET 1 15.263 4.433 -4.805 12 H LYS 2 H LYS 2 13.134 1.189 -3.119 13 HA LYS 2 HA LYS 2 10.715 -0.351 -3.648 14 1HB LYS 2 2HB LYS 2 12.049 -2.517 -3.356 15 2HB LYS 2 3HB LYS 2 12.208 -1.699 -4.909 16 1HG LYS 2 2HG LYS 2 14.330 -0.757 -4.294 17 2HG LYS 2 3HG LYS 2 14.142 -1.274 -2.618 18 1HD LYS 2 2HD LYS 2 14.244 -3.626 -3.299 19 2HD LYS 2 3HD LYS 2 14.336 -3.152 -4.995 20 1HE LYS 2 2HE LYS 2 16.441 -1.845 -4.385 21 2HE LYS 2 3HE LYS 2 16.393 -2.670 -2.828 22 1HZ LYS 2 1HZ LYS 2 17.790 -3.784 -4.523 23 2HZ LYS 2 1HZ LYS 2 16.391 -4.066 -5.445 24 3HZ LYS 2 3HZ LYS 2 16.555 -4.769 -3.907 25 H ILE 3 H ILE 3 11.187 -2.416 -1.820 26 HA ILE 3 HA ILE 3 10.822 -0.986 0.668 27 HB ILE 3 HB ILE 3 10.778 -3.923 -0.054 28 1HG1 ILE 3 2HG1 ILE 3 8.564 -2.092 0.918 29 2HG1 ILE 3 3HG1 ILE 3 8.899 -2.377 -0.790 30 1HG2 ILE 3 1HG2 ILE 3 10.546 -2.527 2.611 31 2HG2 ILE 3 2HG2 ILE 3 9.735 -4.065 2.323 32 3HG2 ILE 3 3HG2 ILE 3 11.490 -3.958 2.196 33 1HD1 ILE 3 1HD1 ILE 3 7.103 -3.863 0.296 34 2HD1 ILE 3 2HD1 ILE 3 8.365 -4.687 -0.621 35 3HD1 ILE 3 3HD1 ILE 3 8.432 -4.653 1.141 36 H ILE 4 H ILE 4 12.262 -0.691 2.249 37 HA ILE 4 HA ILE 4 14.918 -1.959 1.975 38 HB ILE 4 HB ILE 4 14.027 0.692 3.099 39 1HG1 ILE 4 2HG1 ILE 4 15.869 1.504 1.663 40 2HG1 ILE 4 3HG1 ILE 4 16.251 -0.158 1.213 41 1HG2 ILE 4 1HG2 ILE 4 15.405 -0.043 4.871 42 2HG2 ILE 4 2HG2 ILE 4 16.489 -0.911 3.785 43 3HG2 ILE 4 3HG2 ILE 4 16.512 0.851 3.829 44 1HD1 ILE 4 1HD1 ILE 4 13.438 0.765 0.821 45 2HD1 ILE 4 2HD1 ILE 4 14.659 1.369 -0.295 46 3HD1 ILE 4 3HD1 ILE 4 14.394 -0.365 -0.138 47 H SER 5 H SER 5 12.483 -0.948 4.376 48 HA SER 5 HA SER 5 12.734 -3.342 5.893 49 1HB SER 5 2HB SER 5 13.665 -2.214 7.970 50 2HB SER 5 3HB SER 5 14.826 -2.512 6.681 51 HG SER 5 HG SER 5 13.434 -0.100 6.622 52 H ILE 6 H ILE 6 11.194 -3.498 7.528 53 HA ILE 6 HA ILE 6 9.073 -1.481 7.402 54 HB ILE 6 HB ILE 6 9.036 -4.150 8.831 55 1HG1 ILE 6 2HG1 ILE 6 8.074 -3.522 6.018 56 2HG1 ILE 6 3HG1 ILE 6 9.584 -4.357 6.377 57 1HG2 ILE 6 1HG2 ILE 6 6.499 -3.674 8.046 58 2HG2 ILE 6 2HG2 ILE 6 7.134 -3.093 9.584 59 3HG2 ILE 6 3HG2 ILE 6 7.058 -2.010 8.195 60 1HD1 ILE 6 1HD1 ILE 6 8.122 -5.985 7.764 61 2HD1 ILE 6 2HD1 ILE 6 6.761 -5.293 6.881 62 3HD1 ILE 6 3HD1 ILE 6 8.054 -6.116 6.008 63 H SER 7 H SER 7 7.858 -1.354 9.673 64 HA SER 7 HA SER 7 9.836 -0.257 11.531 65 1HB SER 7 2HB SER 7 7.798 1.044 10.800 66 2HB SER 7 3HB SER 7 6.818 -0.113 11.692 67 HG SER 7 HG SER 7 7.357 1.717 12.955 68 H GLU 8 H GLU 8 8.395 -0.439 13.895 69 HA GLU 8 HA GLU 8 8.876 -3.218 14.612 70 1HB GLU 8 2HB GLU 8 9.058 -0.676 15.919 71 2HB GLU 8 3HB GLU 8 7.991 -1.730 16.840 72 1HG GLU 8 2HG GLU 8 10.300 -2.032 17.603 73 2HG GLU 8 3HG GLU 8 9.740 -3.500 16.807 74 H THR 9 H THR 9 6.424 -1.401 13.595 75 HA THR 9 HA THR 9 4.345 -3.112 14.832 76 HB THR 9 HB THR 9 4.242 -0.740 15.601 77 HG1 THR 9 HG1 THR 9 2.267 -1.497 15.640 78 1HG2 THR 9 1HG2 THR 9 4.333 1.014 14.164 79 2HG2 THR 9 2HG2 THR 9 4.952 -0.155 12.998 80 3HG2 THR 9 3HG2 THR 9 3.234 0.244 13.020 81 HA PRO 10 HA PRO 10 4.725 -3.397 10.058 82 1HB PRO 10 2HB PRO 10 4.461 -6.237 10.364 83 2HB PRO 10 3HB PRO 10 5.850 -5.324 9.763 84 1HG PRO 10 2HG PRO 10 5.455 -6.578 12.336 85 2HG PRO 10 3HG PRO 10 6.929 -5.908 11.628 86 1HD PRO 10 2HD PRO 10 5.503 -4.797 13.757 87 2HD PRO 10 3HD PRO 10 6.705 -3.948 12.765 88 H ASN 11 H ASN 11 2.490 -3.998 12.498 89 HA ASN 11 HA ASN 11 0.352 -4.427 10.529 90 1HB ASN 11 2HB ASN 11 -0.643 -5.844 12.555 91 2HB ASN 11 3HB ASN 11 0.380 -6.578 11.331 92 1HD2 ASN 11 2HD2 ASN 11 1.042 -8.194 13.002 93 2HD2 ASN 11 1HD2 ASN 11 2.192 -7.762 14.173 94 H HIS 12 H HIS 12 -1.704 -4.573 12.472 95 HA HIS 12 HA HIS 12 -2.994 -3.340 13.918 96 1HB HIS 12 2HB HIS 12 -0.781 -1.311 14.195 97 2HB HIS 12 3HB HIS 12 -2.080 -1.682 15.325 98 HD1 HIS 12 HD1 HIS 12 0.865 -1.832 16.245 99 HD2 HIS 12 HD2 HIS 12 -1.274 -5.105 14.800 100 HE1 HIS 12 HE1 HIS 12 2.019 -3.896 17.149 101 H ASN 13 H ASN 13 -4.138 -3.040 11.902 102 HA ASN 13 HA ASN 13 -5.409 -1.741 10.520 103 1HB ASN 13 2HB ASN 13 -4.238 0.756 11.705 104 2HB ASN 13 3HB ASN 13 -5.873 0.463 11.122 105 1HD2 ASN 13 2HD2 ASN 13 -7.234 -1.064 12.500 106 2HD2 ASN 13 1HD2 ASN 13 -6.936 -1.114 14.171 107 H THR 14 H THR 14 -2.265 -0.122 10.991 108 HA THR 14 HA THR 14 -1.745 -0.380 8.125 109 HB THR 14 HB THR 14 -2.924 1.790 8.385 110 HG1 THR 14 HG1 THR 14 -0.159 1.828 7.774 111 1HG2 THR 14 1HG2 THR 14 -2.017 3.556 9.713 112 2HG2 THR 14 2HG2 THR 14 -2.039 2.138 10.761 113 3HG2 THR 14 3HG2 THR 14 -0.528 2.662 10.018 114 H MET 15 H MET 15 0.459 0.039 7.547 115 HA MET 15 HA MET 15 2.353 0.092 9.812 116 1HB MET 15 2HB MET 15 3.721 -1.622 8.549 117 2HB MET 15 3HB MET 15 2.224 -2.228 9.256 118 1HG MET 15 2HG MET 15 1.364 -2.737 7.233 119 2HG MET 15 3HG MET 15 1.816 -1.173 6.560 120 1HE MET 15 1HE MET 15 3.546 -5.130 5.648 121 2HE MET 15 2HE MET 15 1.906 -4.503 5.793 122 3HE MET 15 3HE MET 15 2.836 -4.862 7.245 123 H LYS 16 H LYS 16 4.555 0.655 9.154 124 HA LYS 16 HA LYS 16 4.500 2.730 7.089 125 1HB LYS 16 2HB LYS 16 5.502 2.868 9.538 126 2HB LYS 16 3HB LYS 16 6.915 2.161 8.757 127 1HG LYS 16 2HG LYS 16 6.531 4.040 6.961 128 2HG LYS 16 3HG LYS 16 5.603 4.818 8.241 129 1HD LYS 16 2HD LYS 16 8.452 3.838 8.582 130 2HD LYS 16 3HD LYS 16 8.029 5.500 8.176 131 1HE LYS 16 2HE LYS 16 7.214 3.993 10.679 132 2HE LYS 16 3HE LYS 16 8.355 5.333 10.585 133 1HZ LYS 16 1HZ LYS 16 5.505 5.388 10.691 134 2HZ LYS 16 1HZ LYS 16 6.097 6.267 9.364 135 3HZ LYS 16 3HZ LYS 16 6.616 6.646 10.935 136 H ILE 17 H ILE 17 6.357 2.954 5.630 137 HA ILE 17 HA ILE 17 7.702 0.425 4.940 138 HB ILE 17 HB ILE 17 6.042 2.146 3.089 139 1HG1 ILE 17 2HG1 ILE 17 6.061 -0.851 3.559 140 2HG1 ILE 17 3HG1 ILE 17 4.968 0.261 4.384 141 1HG2 ILE 17 1HG2 ILE 17 6.939 0.524 1.311 142 2HG2 ILE 17 2HG2 ILE 17 8.055 1.773 1.864 143 3HG2 ILE 17 3HG2 ILE 17 8.209 0.126 2.469 144 1HD1 ILE 17 1HD1 ILE 17 5.172 -0.059 1.375 145 2HD1 ILE 17 2HD1 ILE 17 3.908 -0.760 2.386 146 3HD1 ILE 17 3HD1 ILE 17 4.045 0.991 2.235 147 H THR 18 H THR 18 9.808 0.876 5.066 148 HA THR 18 HA THR 18 10.793 3.581 4.635 149 HB THR 18 HB THR 18 12.385 1.069 5.203 150 HG1 THR 18 HG1 THR 18 12.268 2.073 7.393 151 1HG2 THR 18 1HG2 THR 18 13.633 3.067 4.376 152 2HG2 THR 18 2HG2 THR 18 12.978 3.995 5.726 153 3HG2 THR 18 3HG2 THR 18 14.059 2.634 6.032 154 H LEU 19 H LEU 19 11.325 4.305 2.697 155 HA LEU 19 HA LEU 19 12.020 2.383 0.568 156 1HB LEU 19 2HB LEU 19 11.176 5.285 0.364 157 2HB LEU 19 3HB LEU 19 11.468 4.197 -0.991 158 HG LEU 19 HG LEU 19 9.399 3.669 1.164 159 1HD1 LEU 19 1HD1 LEU 19 9.255 5.162 -1.442 160 2HD1 LEU 19 2HD1 LEU 19 7.856 4.240 -0.892 161 3HD1 LEU 19 3HD1 LEU 19 8.499 5.546 0.105 162 1HD2 LEU 19 1HD2 LEU 19 10.188 2.371 -1.443 163 2HD2 LEU 19 2HD2 LEU 19 9.914 1.618 0.127 164 3HD2 LEU 19 3HD2 LEU 19 8.547 2.197 -0.822 165 H SER 20 H SER 20 13.644 3.212 -1.038 166 HA SER 20 HA SER 20 16.093 3.868 0.280 167 1HB SER 20 2HB SER 20 15.269 3.529 -2.595 168 2HB SER 20 3HB SER 20 16.879 4.108 -2.177 169 HG SER 20 HG SER 20 16.932 1.879 -2.315 170 H GLU 21 H GLU 21 14.018 5.855 0.657 171 HA GLU 21 HA GLU 21 14.762 8.139 -0.968 172 1HB GLU 21 2HB GLU 21 12.643 7.487 1.003 173 2HB GLU 21 3HB GLU 21 13.131 9.178 0.914 174 1HG GLU 21 2HG GLU 21 12.509 7.605 -1.584 175 2HG GLU 21 3HG GLU 21 11.233 8.390 -0.657 176 H SER 22 H SER 22 14.655 10.227 0.696 177 HA SER 22 HA SER 22 16.543 9.893 2.867 178 1HB SER 22 2HB SER 22 17.989 10.211 0.886 179 2HB SER 22 3HB SER 22 17.142 11.715 0.539 180 HG SER 22 HG SER 22 17.877 12.525 2.510 181 H ARG 23 H ARG 23 14.393 11.709 1.036 182 HA ARG 23 HA ARG 23 12.643 13.062 1.932 183 1HB ARG 23 2HB ARG 23 13.562 12.615 4.286 184 2HB ARG 23 3HB ARG 23 14.587 14.030 4.036 185 1HG ARG 23 2HG ARG 23 12.498 15.345 3.504 186 2HG ARG 23 3HG ARG 23 11.557 13.939 4.001 187 1HD ARG 23 2HD ARG 23 12.401 14.053 6.236 188 2HD ARG 23 3HD ARG 23 13.639 15.219 5.780 189 HE ARG 23 HE ARG 23 10.850 16.038 5.417 190 1HH1 ARG 23 1HH1 ARG 23 13.691 16.020 7.400 191 2HH1 ARG 23 2HH1 ARG 23 13.297 17.496 8.216 192 1HH2 ARG 23 1HH2 ARG 23 10.364 18.008 6.439 193 2HH2 ARG 23 2HH2 ARG 23 11.410 18.616 7.678 194 H GLU 24 H GLU 24 12.299 15.338 1.639 195 HA GLU 24 HA GLU 24 12.798 17.472 0.874 196 1HB GLU 24 2HB GLU 24 15.149 16.991 1.952 197 2HB GLU 24 3HB GLU 24 15.642 16.716 0.280 198 1HG GLU 24 2HG GLU 24 14.439 18.990 -0.189 199 2HG GLU 24 3HG GLU 24 14.604 19.240 1.548 200 H GLY 25 H GLY 25 12.057 15.016 -0.600 201 1HA GLY 25 1HA GLY 25 12.469 16.065 -3.296 202 2HA GLY 25 2HA GLY 25 13.054 14.432 -2.993 203 H MET 26 H MET 26 11.064 13.493 -1.276 204 HA MET 26 HA MET 26 8.879 13.107 -3.181 205 1HB MET 26 2HB MET 26 9.940 11.644 -0.819 206 2HB MET 26 3HB MET 26 8.213 11.494 -1.144 207 1HG MET 26 2HG MET 26 8.826 10.938 -3.546 208 2HG MET 26 3HG MET 26 10.501 10.822 -3.005 209 1HE MET 26 1HE MET 26 10.959 8.787 -3.673 210 2HE MET 26 2HE MET 26 9.518 7.919 -4.195 211 3HE MET 26 3HE MET 26 10.525 7.249 -2.914 212 H THR 27 H THR 27 6.998 14.122 -3.033 213 HA THR 27 HA THR 27 6.432 15.916 -0.852 214 HB THR 27 HB THR 27 5.800 16.482 -3.158 215 HG1 THR 27 HG1 THR 27 3.422 16.711 -2.621 216 1HG2 THR 27 1HG2 THR 27 4.345 15.221 -4.468 217 2HG2 THR 27 2HG2 THR 27 5.226 13.955 -3.617 218 3HG2 THR 27 3HG2 THR 27 3.615 14.424 -3.076 219 H SER 28 H SER 28 3.439 15.101 -1.343 220 HA SER 28 HA SER 28 3.238 12.621 0.150 221 1HB SER 28 2HB SER 28 2.298 13.473 2.128 222 2HB SER 28 3HB SER 28 3.640 14.568 1.814 223 HG SER 28 HG SER 28 0.884 14.962 1.578 224 H ASP 29 H ASP 29 1.364 11.586 -0.298 225 HA ASP 29 HA ASP 29 -1.016 13.023 -1.117 226 1HB ASP 29 2HB ASP 29 0.746 11.631 -3.085 227 2HB ASP 29 3HB ASP 29 -0.998 11.482 -3.281 228 H THR 30 H THR 30 -2.851 11.829 -0.895 229 HA THR 30 HA THR 30 -2.518 9.091 0.158 230 HB THR 30 HB THR 30 -3.660 10.196 1.828 231 HG1 THR 30 HG1 THR 30 -6.079 9.983 0.798 232 1HG2 THR 30 1HG2 THR 30 -4.733 11.905 -0.404 233 2HG2 THR 30 2HG2 THR 30 -5.516 11.911 1.175 234 3HG2 THR 30 3HG2 THR 30 -3.826 12.393 1.028 235 H TYR 31 H TYR 31 -3.844 7.413 -0.590 236 HA TYR 31 HA TYR 31 -5.369 7.964 -3.062 237 1HB TYR 31 2HB TYR 31 -3.705 5.474 -2.668 238 2HB TYR 31 3HB TYR 31 -4.433 6.077 -4.156 239 HD1 TYR 31 HD1 TYR 31 -1.394 5.743 -2.533 240 HD2 TYR 31 HD2 TYR 31 -3.721 8.710 -4.595 241 HE1 TYR 31 HE1 TYR 31 0.671 7.026 -3.019 242 HE2 TYR 31 HE2 TYR 31 -1.652 9.993 -5.080 243 HH TYR 31 HH TYR 31 0.867 9.398 -5.305 244 H THR 32 H THR 32 -7.426 7.555 -2.594 245 HA THR 32 HA THR 32 -8.060 5.145 -0.995 246 HB THR 32 HB THR 32 -9.825 6.278 0.087 247 HG1 THR 32 HG1 THR 32 -10.832 7.424 -1.422 248 1HG2 THR 32 1HG2 THR 32 -7.378 7.005 0.633 249 2HG2 THR 32 2HG2 THR 32 -7.835 8.525 -0.136 250 3HG2 THR 32 3HG2 THR 32 -8.711 7.956 1.286 251 H LYS 33 H LYS 33 -8.194 6.442 -4.021 252 HA LYS 33 HA LYS 33 -10.314 4.607 -4.818 253 1HB LYS 33 2HB LYS 33 -10.473 7.589 -5.310 254 2HB LYS 33 3HB LYS 33 -11.440 6.402 -6.182 255 1HG LYS 33 2HG LYS 33 -12.219 5.565 -3.890 256 2HG LYS 33 3HG LYS 33 -11.502 7.035 -3.229 257 1HD LYS 33 2HD LYS 33 -13.643 6.928 -5.376 258 2HD LYS 33 3HD LYS 33 -13.898 7.374 -3.689 259 1HE LYS 33 2HE LYS 33 -11.966 9.121 -4.208 260 2HE LYS 33 3HE LYS 33 -12.523 8.902 -5.867 261 1HZ LYS 33 1HZ LYS 33 -14.394 10.009 -5.455 262 2HZ LYS 33 1HZ LYS 33 -13.624 10.573 -4.050 263 3HZ LYS 33 3HZ LYS 33 -14.658 9.227 -3.973 264 H VAL 34 H VAL 34 -7.384 5.017 -5.179 265 HA VAL 34 HA VAL 34 -5.798 4.828 -6.834 266 HB VAL 34 HB VAL 34 -8.204 3.825 -8.381 267 1HG1 VAL 34 1HG1 VAL 34 -6.519 4.177 -9.999 268 2HG1 VAL 34 2HG1 VAL 34 -5.231 3.713 -8.887 269 3HG1 VAL 34 3HG1 VAL 34 -6.315 2.487 -9.545 270 1HG2 VAL 34 1HG2 VAL 34 -6.090 2.251 -6.890 271 2HG2 VAL 34 2HG2 VAL 34 -7.635 2.700 -6.169 272 3HG2 VAL 34 3HG2 VAL 34 -7.595 1.644 -7.581 273 H ASP 35 H ASP 35 -5.242 5.496 -9.148 274 HA ASP 35 HA ASP 35 -5.073 7.089 -10.786 275 1HB ASP 35 2HB ASP 35 -7.691 6.710 -10.758 276 2HB ASP 35 3HB ASP 35 -7.701 8.317 -10.038 277 H ASP 36 H ASP 36 -3.430 8.270 -9.972 278 HA ASP 36 HA ASP 36 -3.940 10.916 -9.083 279 1HB ASP 36 2HB ASP 36 -4.210 9.203 -7.008 280 2HB ASP 36 3HB ASP 36 -2.474 9.479 -6.942 281 H SER 37 H SER 37 -2.329 9.085 -10.896 282 HA SER 37 HA SER 37 -0.345 9.336 -12.030 283 1HB SER 37 2HB SER 37 0.824 11.284 -11.838 284 2HB SER 37 3HB SER 37 -0.589 11.775 -10.914 285 HG SER 37 HG SER 37 0.861 12.112 -9.417 286 H GLN 38 H GLN 38 -0.863 7.776 -9.361 287 HA GLN 38 HA GLN 38 1.834 7.321 -8.386 288 1HB GLN 38 2HB GLN 38 -0.114 5.276 -7.651 289 2HB GLN 38 3HB GLN 38 0.824 6.349 -6.620 290 1HG GLN 38 2HG GLN 38 -1.311 7.096 -6.153 291 2HG GLN 38 3HG GLN 38 -0.899 8.167 -7.486 292 1HE2 GLN 38 2HE2 GLN 38 -3.122 5.758 -6.420 293 2HE2 GLN 38 1HE2 GLN 38 -3.959 5.568 -7.884 294 HA PRO 39 HA PRO 39 2.881 3.885 -10.927 295 1HB PRO 39 2HB PRO 39 3.454 1.950 -8.865 296 2HB PRO 39 3HB PRO 39 4.596 2.944 -9.777 297 1HG PRO 39 2HG PRO 39 4.002 3.190 -7.080 298 2HG PRO 39 3HG PRO 39 4.834 4.388 -8.079 299 1HD PRO 39 2HD PRO 39 2.044 4.395 -7.082 300 2HD PRO 39 3HD PRO 39 3.074 5.756 -7.574 301 H ALA 40 H ALA 40 1.644 2.507 -12.082 302 HA ALA 40 HA ALA 40 -0.906 1.707 -11.453 303 1HB ALA 40 1HB ALA 40 -0.606 -0.090 -13.159 304 2HB ALA 40 2HB ALA 40 -0.043 1.490 -13.705 305 3HB ALA 40 3HB ALA 40 1.120 0.273 -13.182 306 H PHE 41 H PHE 41 2.125 0.101 -10.678 307 HA PHE 41 HA PHE 41 1.198 -2.364 -9.778 308 1HB PHE 41 2HB PHE 41 3.439 -0.796 -8.494 309 2HB PHE 41 3HB PHE 41 3.259 -2.549 -8.580 310 HD1 PHE 41 HD1 PHE 41 4.865 0.208 -10.040 311 HD2 PHE 41 HD2 PHE 41 2.910 -3.474 -11.081 312 HE1 PHE 41 HE1 PHE 41 6.046 0.195 -12.220 313 HE2 PHE 41 HE2 PHE 41 4.093 -3.486 -13.259 314 HZ PHE 41 HZ PHE 41 5.660 -1.651 -13.830 315 H ILE 42 H ILE 42 1.148 0.785 -8.200 316 HA ILE 42 HA ILE 42 0.406 -0.253 -5.615 317 HB ILE 42 HB ILE 42 0.540 2.499 -6.831 318 1HG1 ILE 42 2HG1 ILE 42 2.531 1.129 -5.863 319 2HG1 ILE 42 3HG1 ILE 42 2.342 2.804 -5.347 320 1HG2 ILE 42 1HG2 ILE 42 -1.406 2.716 -5.480 321 2HG2 ILE 42 2HG2 ILE 42 -0.742 1.680 -4.216 322 3HG2 ILE 42 3HG2 ILE 42 -0.085 3.297 -4.470 323 1HD1 ILE 42 1HD1 ILE 42 0.955 0.695 -3.748 324 2HD1 ILE 42 2HD1 ILE 42 2.704 0.838 -3.580 325 3HD1 ILE 42 3HD1 ILE 42 1.668 2.219 -3.219 326 H ASN 43 H ASN 43 -1.261 0.510 -8.543 327 HA ASN 43 HA ASN 43 -3.825 1.093 -7.494 328 1HB ASN 43 2HB ASN 43 -3.115 -0.288 -10.099 329 2HB ASN 43 3HB ASN 43 -4.658 0.452 -9.707 330 1HD2 ASN 43 2HD2 ASN 43 -2.267 2.364 -8.298 331 2HD2 ASN 43 1HD2 ASN 43 -2.091 3.506 -9.540 332 H ASP 44 H ASP 44 -2.121 -1.878 -8.315 333 HA ASP 44 HA ASP 44 -4.193 -3.734 -7.942 334 1HB ASP 44 2HB ASP 44 -1.246 -4.064 -7.313 335 2HB ASP 44 3HB ASP 44 -2.404 -5.371 -7.535 336 H ILE 45 H ILE 45 -1.741 -2.566 -5.636 337 HA ILE 45 HA ILE 45 -2.495 -3.923 -3.356 338 HB ILE 45 HB ILE 45 -1.452 -1.103 -3.688 339 1HG1 ILE 45 2HG1 ILE 45 -0.110 -3.674 -2.791 340 2HG1 ILE 45 3HG1 ILE 45 -0.021 -3.022 -4.428 341 1HG2 ILE 45 1HG2 ILE 45 -0.826 -1.288 -1.267 342 2HG2 ILE 45 2HG2 ILE 45 -2.567 -1.201 -1.531 343 3HG2 ILE 45 3HG2 ILE 45 -1.808 -2.750 -1.166 344 1HD1 ILE 45 1HD1 ILE 45 1.710 -2.410 -2.337 345 2HD1 ILE 45 2HD1 ILE 45 1.541 -1.502 -3.839 346 3HD1 ILE 45 3HD1 ILE 45 0.635 -1.014 -2.407 347 H LEU 46 H LEU 46 -3.752 -0.789 -4.495 348 HA LEU 46 HA LEU 46 -5.623 -0.427 -2.409 349 1HB LEU 46 2HB LEU 46 -5.497 0.650 -5.231 350 2HB LEU 46 3HB LEU 46 -6.730 1.143 -4.069 351 HG LEU 46 HG LEU 46 -3.823 1.252 -3.295 352 1HD1 LEU 46 1HD1 LEU 46 -3.912 2.462 -5.414 353 2HD1 LEU 46 2HD1 LEU 46 -5.345 3.343 -4.884 354 3HD1 LEU 46 3HD1 LEU 46 -3.794 3.620 -4.090 355 1HD2 LEU 46 1HD2 LEU 46 -6.317 2.812 -2.540 356 2HD2 LEU 46 2HD2 LEU 46 -5.489 1.613 -1.547 357 3HD2 LEU 46 3HD2 LEU 46 -4.705 3.151 -1.912 358 H LYS 47 H LYS 47 -5.823 -2.071 -5.528 359 HA LYS 47 HA LYS 47 -8.662 -2.600 -5.262 360 1HB LYS 47 2HB LYS 47 -6.797 -2.575 -7.381 361 2HB LYS 47 3HB LYS 47 -7.359 -4.240 -7.245 362 1HG LYS 47 2HG LYS 47 -8.949 -3.252 -8.672 363 2HG LYS 47 3HG LYS 47 -9.736 -3.201 -7.095 364 1HD LYS 47 2HD LYS 47 -8.797 -0.856 -6.819 365 2HD LYS 47 3HD LYS 47 -8.309 -0.934 -8.513 366 1HE LYS 47 2HE LYS 47 -10.682 -1.412 -9.135 367 2HE LYS 47 3HE LYS 47 -11.136 -1.195 -7.444 368 1HZ LYS 47 1HZ LYS 47 -11.174 0.777 -9.185 369 2HZ LYS 47 1HZ LYS 47 -9.560 0.924 -8.678 370 3HZ LYS 47 3HZ LYS 47 -10.822 1.025 -7.545 371 H VAL 48 H VAL 48 -5.833 -4.005 -4.038 372 HA VAL 48 HA VAL 48 -6.693 -6.756 -4.083 373 HB VAL 48 HB VAL 48 -4.458 -5.275 -2.703 374 1HG1 VAL 48 1HG1 VAL 48 -5.400 -8.112 -2.247 375 2HG1 VAL 48 2HG1 VAL 48 -3.722 -7.637 -1.982 376 3HG1 VAL 48 3HG1 VAL 48 -5.010 -6.884 -1.041 377 1HG2 VAL 48 1HG2 VAL 48 -3.113 -6.259 -4.295 378 2HG2 VAL 48 2HG2 VAL 48 -4.112 -7.708 -4.394 379 3HG2 VAL 48 3HG2 VAL 48 -4.618 -6.231 -5.211 380 H GLU 49 H GLU 49 -8.101 -7.686 -2.785 381 HA GLU 49 HA GLU 49 -9.695 -6.406 -0.929 382 1HB GLU 49 2HB GLU 49 -10.143 -8.759 -0.042 383 2HB GLU 49 3HB GLU 49 -10.438 -8.497 -1.759 384 1HG GLU 49 2HG GLU 49 -7.710 -9.409 -0.937 385 2HG GLU 49 3HG GLU 49 -9.019 -10.587 -0.896 386 H GLY 50 H GLY 50 -9.642 -6.007 1.214 387 1HA GLY 50 1HA GLY 50 -8.865 -6.448 3.456 388 2HA GLY 50 2HA GLY 50 -7.315 -6.941 2.780 389 H VAL 51 H VAL 51 -7.113 -4.754 0.913 390 HA VAL 51 HA VAL 51 -6.004 -2.765 2.686 391 HB VAL 51 HB VAL 51 -6.236 -2.714 -0.335 392 1HG1 VAL 51 1HG1 VAL 51 -4.276 -1.318 1.510 393 2HG1 VAL 51 2HG1 VAL 51 -4.452 -1.088 -0.230 394 3HG1 VAL 51 3HG1 VAL 51 -5.724 -0.546 0.865 395 1HG2 VAL 51 1HG2 VAL 51 -4.122 -3.848 1.519 396 2HG2 VAL 51 2HG2 VAL 51 -5.037 -4.712 0.285 397 3HG2 VAL 51 3HG2 VAL 51 -3.831 -3.516 -0.188 398 H LYS 52 H LYS 52 -6.749 -0.756 3.117 399 HA LYS 52 HA LYS 52 -9.485 -0.122 2.216 400 1HB LYS 52 2HB LYS 52 -9.266 -0.215 4.622 401 2HB LYS 52 3HB LYS 52 -7.854 0.837 4.582 402 1HG LYS 52 2HG LYS 52 -9.145 2.729 3.935 403 2HG LYS 52 3HG LYS 52 -10.534 1.732 3.504 404 1HD LYS 52 2HD LYS 52 -11.158 2.590 5.596 405 2HD LYS 52 3HD LYS 52 -10.491 1.012 6.015 406 1HE LYS 52 2HE LYS 52 -9.479 2.517 7.546 407 2HE LYS 52 3HE LYS 52 -8.244 2.232 6.321 408 1HZ LYS 52 1HZ LYS 52 -9.549 4.295 5.256 409 2HZ LYS 52 1HZ LYS 52 -8.192 4.463 6.265 410 3HZ LYS 52 3HZ LYS 52 -9.757 4.638 6.903 411 H SER 53 H SER 53 -6.395 1.526 2.926 412 HA SER 53 HA SER 53 -6.534 3.056 0.480 413 1HB SER 53 2HB SER 53 -6.958 4.415 3.149 414 2HB SER 53 3HB SER 53 -6.496 5.269 1.681 415 HG SER 53 HG SER 53 -8.421 4.802 0.791 416 H ILE 54 H ILE 54 -4.740 4.900 0.702 417 HA ILE 54 HA ILE 54 -2.426 3.861 2.205 418 HB ILE 54 HB ILE 54 -2.422 4.556 -0.748 419 1HG1 ILE 54 2HG1 ILE 54 -1.799 1.925 0.632 420 2HG1 ILE 54 3HG1 ILE 54 -3.363 2.300 -0.094 421 1HG2 ILE 54 1HG2 ILE 54 -0.335 5.289 0.119 422 2HG2 ILE 54 2HG2 ILE 54 -0.230 3.929 1.238 423 3HG2 ILE 54 3HG2 ILE 54 -0.009 3.668 -0.492 424 1HD1 ILE 54 1HD1 ILE 54 -0.694 2.243 -1.537 425 2HD1 ILE 54 2HD1 ILE 54 -1.987 1.055 -1.693 426 3HD1 ILE 54 3HD1 ILE 54 -2.231 2.702 -2.271 427 H PHE 55 H PHE 55 -0.800 5.430 2.612 428 HA PHE 55 HA PHE 55 -1.476 8.221 1.961 429 1HB PHE 55 2HB PHE 55 -2.444 7.969 4.125 430 2HB PHE 55 3HB PHE 55 -1.054 7.064 4.719 431 HD1 PHE 55 HD1 PHE 55 0.207 8.266 6.247 432 HD2 PHE 55 HD2 PHE 55 -1.514 10.329 2.892 433 HE1 PHE 55 HE1 PHE 55 1.268 10.376 6.998 434 HE2 PHE 55 HE2 PHE 55 -0.451 12.440 3.645 435 HZ PHE 55 HZ PHE 55 0.941 12.462 5.700 436 H HIS 56 H HIS 56 0.245 8.886 0.847 437 HA HIS 56 HA HIS 56 2.936 7.948 1.584 438 1HB HIS 56 2HB HIS 56 2.419 7.701 -0.753 439 2HB HIS 56 3HB HIS 56 1.855 9.365 -0.860 440 HD1 HIS 56 HD1 HIS 56 3.611 10.165 -2.545 441 HD2 HIS 56 HD2 HIS 56 5.295 8.468 0.868 442 HE1 HIS 56 HE1 HIS 56 6.091 10.673 -2.640 443 H VAL 57 H VAL 57 4.424 9.255 2.495 444 HA VAL 57 HA VAL 57 4.353 12.117 2.257 445 HB VAL 57 HB VAL 57 2.563 11.647 3.975 446 1HG1 VAL 57 1HG1 VAL 57 3.325 10.982 6.225 447 2HG1 VAL 57 2HG1 VAL 57 3.650 9.710 5.046 448 3HG1 VAL 57 3HG1 VAL 57 4.959 10.751 5.606 449 1HG2 VAL 57 1HG2 VAL 57 4.136 13.734 3.795 450 2HG2 VAL 57 2HG2 VAL 57 3.160 13.522 5.248 451 3HG2 VAL 57 3HG2 VAL 57 4.869 13.090 5.264 452 H MET 58 H MET 58 6.163 13.146 3.348 453 HA MET 58 HA MET 58 8.445 13.241 3.670 454 1HB MET 58 2HB MET 58 7.340 12.416 5.901 455 2HB MET 58 3HB MET 58 8.131 10.891 5.518 456 1HG MET 58 2HG MET 58 9.825 11.893 6.719 457 2HG MET 58 3HG MET 58 10.223 12.512 5.116 458 1HE MET 58 1HE MET 58 10.869 13.363 8.029 459 2HE MET 58 2HE MET 58 9.305 13.589 8.810 460 3HE MET 58 3HE MET 58 10.325 14.986 8.476 461 H ASP 59 H ASP 59 9.804 10.625 4.647 462 HA ASP 59 HA ASP 59 10.371 9.601 1.940 463 1HB ASP 59 2HB ASP 59 12.512 8.862 2.848 464 2HB ASP 59 3HB ASP 59 12.277 10.576 3.166 465 H PHE 60 H PHE 60 8.039 8.644 3.115 466 HA PHE 60 HA PHE 60 8.542 5.820 3.095 467 1HB PHE 60 2HB PHE 60 7.862 5.257 5.324 468 2HB PHE 60 3HB PHE 60 9.145 6.455 5.468 469 HD1 PHE 60 HD1 PHE 60 8.690 8.709 6.258 470 HD2 PHE 60 HD2 PHE 60 5.506 5.867 5.759 471 HE1 PHE 60 HE1 PHE 60 7.165 10.189 7.536 472 HE2 PHE 60 HE2 PHE 60 3.983 7.348 7.037 473 HZ PHE 60 HZ PHE 60 4.812 9.510 7.923 474 H ILE 61 H ILE 61 6.433 4.601 3.623 475 HA ILE 61 HA ILE 61 4.067 6.214 2.897 476 HB ILE 61 HB ILE 61 4.788 3.559 1.623 477 1HG1 ILE 61 2HG1 ILE 61 4.695 6.318 0.359 478 2HG1 ILE 61 3HG1 ILE 61 6.187 5.536 0.880 479 1HG2 ILE 61 1HG2 ILE 61 2.499 5.504 1.170 480 2HG2 ILE 61 2HG2 ILE 61 2.832 4.095 0.166 481 3HG2 ILE 61 3HG2 ILE 61 2.373 3.884 1.854 482 1HD1 ILE 61 1HD1 ILE 61 5.647 3.606 -0.614 483 2HD1 ILE 61 2HD1 ILE 61 4.238 4.492 -1.197 484 3HD1 ILE 61 3HD1 ILE 61 5.860 5.116 -1.499 485 H SER 62 H SER 62 2.152 5.532 3.771 486 HA SER 62 HA SER 62 2.319 3.309 5.715 487 1HB SER 62 2HB SER 62 1.992 5.307 6.949 488 2HB SER 62 3HB SER 62 0.816 5.924 5.791 489 HG SER 62 HG SER 62 -0.136 5.028 7.704 490 H VAL 63 H VAL 63 1.269 1.567 5.017 491 HA VAL 63 HA VAL 63 -1.065 1.876 3.242 492 HB VAL 63 HB VAL 63 0.534 -0.601 3.958 493 1HG1 VAL 63 1HG1 VAL 63 -0.672 -1.604 2.042 494 2HG1 VAL 63 2HG1 VAL 63 -1.790 -1.099 3.309 495 3HG1 VAL 63 3HG1 VAL 63 -1.604 -0.117 1.856 496 1HG2 VAL 63 1HG2 VAL 63 1.524 -0.369 1.746 497 2HG2 VAL 63 2HG2 VAL 63 0.524 1.043 1.406 498 3HG2 VAL 63 3HG2 VAL 63 1.783 1.131 2.637 499 H ASP 64 H ASP 64 -2.943 2.013 4.285 500 HA ASP 64 HA ASP 64 -3.309 0.560 6.819 501 1HB ASP 64 2HB ASP 64 -5.297 2.525 5.755 502 2HB ASP 64 3HB ASP 64 -4.911 2.130 7.421 503 H LYS 65 H LYS 65 -5.038 -0.801 7.170 504 HA LYS 65 HA LYS 65 -6.577 -1.646 4.785 505 1HB LYS 65 2HB LYS 65 -6.509 -3.962 5.923 506 2HB LYS 65 3HB LYS 65 -5.041 -3.408 5.125 507 1HG LYS 65 2HG LYS 65 -3.930 -3.022 7.124 508 2HG LYS 65 3HG LYS 65 -5.423 -2.735 8.017 509 1HD LYS 65 2HD LYS 65 -4.370 -4.894 8.644 510 2HD LYS 65 3HD LYS 65 -5.970 -5.116 7.937 511 1HE LYS 65 2HE LYS 65 -5.033 -5.773 5.820 512 2HE LYS 65 3HE LYS 65 -3.410 -5.299 6.325 513 1HZ LYS 65 1HZ LYS 65 -3.114 -7.281 7.230 514 2HZ LYS 65 1HZ LYS 65 -4.626 -7.771 6.629 515 3HZ LYS 65 3HZ LYS 65 -4.503 -7.109 8.188 516 H GLU 66 H GLU 66 -8.218 -3.504 6.087 517 HA GLU 66 HA GLU 66 -10.210 -1.812 7.204 518 1HB GLU 66 2HB GLU 66 -10.060 -4.825 7.455 519 2HB GLU 66 3HB GLU 66 -11.503 -3.813 7.506 520 1HG GLU 66 2HG GLU 66 -10.855 -3.061 5.128 521 2HG GLU 66 3HG GLU 66 -9.739 -4.426 5.130 522 H ASN 67 H ASN 67 -11.104 -3.599 9.336 523 HA ASN 67 HA ASN 67 -10.020 -2.331 11.574 524 1HB ASN 67 2HB ASN 67 -10.914 -4.575 12.720 525 2HB ASN 67 3HB ASN 67 -12.010 -3.334 12.120 526 1HD2 ASN 67 2HD2 ASN 67 -13.165 -3.770 10.096 527 2HD2 ASN 67 1HD2 ASN 67 -13.246 -5.340 9.454 528 H ASP 68 H ASP 68 -9.270 -5.543 10.233 529 HA ASP 68 HA ASP 68 -6.550 -5.353 11.234 530 1HB ASP 68 2HB ASP 68 -6.682 -7.554 12.407 531 2HB ASP 68 3HB ASP 68 -7.614 -6.282 13.194 532 H ALA 69 H ALA 69 -9.029 -7.366 9.681 533 HA ALA 69 HA ALA 69 -8.894 -8.919 7.982 534 1HB ALA 69 1HB ALA 69 -8.479 -6.655 6.877 535 2HB ALA 69 2HB ALA 69 -6.769 -7.083 6.867 536 3HB ALA 69 3HB ALA 69 -7.931 -8.070 5.980 537 H ASN 70 H ASN 70 -6.223 -8.984 6.400 538 HA ASN 70 HA ASN 70 -4.557 -10.495 8.285 539 1HB ASN 70 2HB ASN 70 -4.394 -12.094 6.069 540 2HB ASN 70 3HB ASN 70 -5.388 -12.438 7.480 541 1HD2 ASN 70 2HD2 ASN 70 -7.138 -13.452 6.353 542 2HD2 ASN 70 1HD2 ASN 70 -8.124 -12.620 5.249 543 H TRP 71 H TRP 71 -2.427 -10.236 7.930 544 HA TRP 71 HA TRP 71 -1.635 -8.429 5.772 545 1HB TRP 71 2HB TRP 71 -0.422 -9.343 8.352 546 2HB TRP 71 3HB TRP 71 0.643 -8.741 7.085 547 HD1 TRP 71 HD1 TRP 71 -1.157 -7.522 9.949 548 HE1 TRP 71 HE1 TRP 71 -1.624 -4.990 9.800 549 HE3 TRP 71 HE3 TRP 71 -0.198 -6.747 4.996 550 HZ2 TRP 71 HZ2 TRP 71 -1.587 -2.913 7.838 551 HZ3 TRP 71 HZ3 TRP 71 -0.421 -4.483 4.014 552 HH2 TRP 71 HH2 TRP 71 -1.114 -2.567 5.425 553 H GLU 72 H GLU 72 -0.792 -11.651 7.019 554 HA GLU 72 HA GLU 72 1.253 -12.313 5.258 555 1HB GLU 72 2HB GLU 72 0.766 -13.711 7.156 556 2HB GLU 72 3HB GLU 72 -0.845 -14.075 6.537 557 1HG GLU 72 2HG GLU 72 -0.019 -15.438 4.818 558 2HG GLU 72 3HG GLU 72 1.584 -14.704 4.873 559 H THR 73 H THR 73 -2.135 -12.006 4.592 560 HA THR 73 HA THR 73 -1.993 -13.604 2.163 561 HB THR 73 HB THR 73 -4.051 -13.450 3.668 562 HG1 THR 73 HG1 THR 73 -4.078 -14.242 1.526 563 1HG2 THR 73 1HG2 THR 73 -4.423 -10.826 2.199 564 2HG2 THR 73 2HG2 THR 73 -5.520 -11.555 3.369 565 3HG2 THR 73 3HG2 THR 73 -3.951 -10.949 3.893 566 H VAL 74 H VAL 74 -2.326 -10.226 3.103 567 HA VAL 74 HA VAL 74 -2.398 -9.215 0.429 568 HB VAL 74 HB VAL 74 -2.628 -8.205 3.141 569 1HG1 VAL 74 1HG1 VAL 74 -1.767 -5.925 2.661 570 2HG1 VAL 74 2HG1 VAL 74 -0.476 -7.124 2.709 571 3HG1 VAL 74 3HG1 VAL 74 -1.064 -6.524 1.160 572 1HG2 VAL 74 1HG2 VAL 74 -4.209 -6.767 2.127 573 2HG2 VAL 74 2HG2 VAL 74 -3.393 -6.833 0.564 574 3HG2 VAL 74 3HG2 VAL 74 -4.276 -8.238 1.156 575 H LEU 75 H LEU 75 0.135 -9.597 2.872 576 HA LEU 75 HA LEU 75 2.174 -8.083 1.826 577 1HB LEU 75 2HB LEU 75 1.958 -10.287 3.659 578 2HB LEU 75 3HB LEU 75 3.390 -10.494 2.652 579 HG LEU 75 HG LEU 75 3.986 -8.088 3.159 580 1HD1 LEU 75 1HD1 LEU 75 2.854 -7.351 5.410 581 2HD1 LEU 75 2HD1 LEU 75 2.016 -7.057 3.886 582 3HD1 LEU 75 3HD1 LEU 75 1.554 -8.426 4.897 583 1HD2 LEU 75 1HD2 LEU 75 4.788 -8.606 5.462 584 2HD2 LEU 75 2HD2 LEU 75 3.745 -10.029 5.479 585 3HD2 LEU 75 3HD2 LEU 75 5.084 -9.929 4.334 586 HA PRO 76 HA PRO 76 3.695 -11.922 -0.880 587 1HB PRO 76 2HB PRO 76 1.253 -13.176 -1.756 588 2HB PRO 76 3HB PRO 76 2.600 -13.900 -0.864 589 1HG PRO 76 2HG PRO 76 0.015 -12.986 0.106 590 2HG PRO 76 3HG PRO 76 1.200 -14.043 0.881 591 1HD PRO 76 2HD PRO 76 0.668 -11.472 1.712 592 2HD PRO 76 3HD PRO 76 2.208 -12.305 2.003 593 H LYS 77 H LYS 77 0.631 -10.224 -1.287 594 HA LYS 77 HA LYS 77 0.911 -9.953 -4.160 595 1HB LYS 77 2HB LYS 77 -1.030 -8.898 -2.107 596 2HB LYS 77 3HB LYS 77 -1.036 -8.289 -3.762 597 1HG LYS 77 2HG LYS 77 -2.630 -10.120 -3.599 598 2HG LYS 77 3HG LYS 77 -1.262 -10.644 -4.580 599 1HD LYS 77 2HD LYS 77 -0.524 -12.139 -3.003 600 2HD LYS 77 3HD LYS 77 -1.051 -11.134 -1.653 601 1HE LYS 77 2HE LYS 77 -3.060 -12.477 -3.457 602 2HE LYS 77 3HE LYS 77 -2.344 -13.340 -2.097 603 1HZ LYS 77 1HZ LYS 77 -3.200 -10.740 -1.329 604 2HZ LYS 77 1HZ LYS 77 -3.634 -12.252 -0.684 605 3HZ LYS 77 3HZ LYS 77 -4.482 -11.615 -2.013 606 H VAL 78 H VAL 78 1.312 -7.922 -1.291 607 HA VAL 78 HA VAL 78 1.875 -5.479 -2.545 608 HB VAL 78 HB VAL 78 2.852 -6.604 0.092 609 1HG1 VAL 78 1HG1 VAL 78 4.364 -4.851 -0.334 610 2HG1 VAL 78 2HG1 VAL 78 3.159 -3.893 -1.194 611 3HG1 VAL 78 3HG1 VAL 78 3.076 -4.047 0.562 612 1HG2 VAL 78 1HG2 VAL 78 0.790 -4.452 -0.267 613 2HG2 VAL 78 2HG2 VAL 78 0.322 -6.133 -0.518 614 3HG2 VAL 78 3HG2 VAL 78 0.966 -5.622 1.042 615 H GLU 79 H GLU 79 4.057 -8.125 -1.598 616 HA GLU 79 HA GLU 79 6.505 -6.944 -2.170 617 1HB GLU 79 2HB GLU 79 5.515 -9.774 -2.252 618 2HB GLU 79 3HB GLU 79 7.146 -9.401 -2.812 619 1HG GLU 79 2HG GLU 79 7.681 -8.358 -0.665 620 2HG GLU 79 3HG GLU 79 6.035 -8.625 -0.098 621 H ALA 80 H ALA 80 4.316 -8.676 -4.367 622 HA ALA 80 HA ALA 80 5.859 -8.726 -6.666 623 1HB ALA 80 1HB ALA 80 3.814 -8.969 -7.892 624 2HB ALA 80 2HB ALA 80 3.587 -9.767 -6.335 625 3HB ALA 80 3HB ALA 80 2.888 -8.172 -6.618 626 H VAL 81 H VAL 81 4.084 -6.038 -5.262 627 HA VAL 81 HA VAL 81 4.007 -4.300 -7.449 628 HB VAL 81 HB VAL 81 4.411 -3.462 -4.570 629 1HG1 VAL 81 1HG1 VAL 81 4.375 -1.860 -6.712 630 2HG1 VAL 81 2HG1 VAL 81 2.635 -2.069 -6.530 631 3HG1 VAL 81 3HG1 VAL 81 3.585 -1.399 -5.206 632 1HG2 VAL 81 1HG2 VAL 81 2.128 -3.806 -4.160 633 2HG2 VAL 81 2HG2 VAL 81 1.725 -3.860 -5.875 634 3HG2 VAL 81 3HG2 VAL 81 2.542 -5.224 -5.115 635 H PHE 82 H PHE 82 6.395 -4.154 -4.771 636 HA PHE 82 HA PHE 82 8.167 -2.559 -6.451 637 1HB PHE 82 2HB PHE 82 8.920 -3.549 -3.725 638 2HB PHE 82 3HB PHE 82 9.318 -2.021 -4.510 639 HD1 PHE 82 HD1 PHE 82 7.098 -3.682 -2.253 640 HD2 PHE 82 HD2 PHE 82 7.353 -0.402 -5.015 641 HE1 PHE 82 HE1 PHE 82 5.126 -2.628 -1.184 642 HE2 PHE 82 HE2 PHE 82 5.381 0.651 -3.944 643 HZ PHE 82 HZ PHE 82 4.267 -0.466 -2.032 644 H GLU 83 H GLU 83 8.035 -5.817 -5.120 645 HA GLU 83 HA GLU 83 10.740 -6.460 -5.897 646 1HB GLU 83 2HB GLU 83 9.368 -7.481 -3.965 647 2HB GLU 83 3HB GLU 83 8.612 -8.474 -5.210 648 1HG GLU 83 2HG GLU 83 11.038 -9.024 -5.949 649 2HG GLU 83 3HG GLU 83 11.505 -8.398 -4.369 650 H LEU 84 H LEU 84 9.624 -5.474 -8.142 651 HA LEU 84 HA LEU 84 8.483 -7.540 -9.807 652 1HB LEU 84 2HB LEU 84 9.653 -4.842 -10.546 653 2HB LEU 84 3HB LEU 84 8.709 -5.880 -11.613 654 HG LEU 84 HG LEU 84 7.547 -5.094 -8.961 655 1HD1 LEU 84 1HD1 LEU 84 7.892 -3.332 -11.382 656 2HD1 LEU 84 2HD1 LEU 84 6.500 -3.133 -10.316 657 3HD1 LEU 84 3HD1 LEU 84 8.133 -2.932 -9.681 658 1HD2 LEU 84 1HD2 LEU 84 6.367 -5.527 -11.726 659 2HD2 LEU 84 2HD2 LEU 84 6.420 -6.740 -10.447 660 3HD2 LEU 84 3HD2 LEU 84 5.454 -5.280 -10.238 661 H GLU 85 H GLU 85 10.669 -8.696 -8.798 662 HA GLU 85 HA GLU 85 13.054 -8.287 -10.317 663 1HB GLU 85 2HB GLU 85 12.854 -9.342 -7.998 664 2HB GLU 85 3HB GLU 85 12.322 -10.807 -8.825 665 1HG GLU 85 2HG GLU 85 14.393 -10.919 -10.083 666 2HG GLU 85 3HG GLU 85 14.909 -9.357 -9.452 667 H HIS 86 H HIS 86 13.325 -8.793 -12.377 668 HA HIS 86 HA HIS 86 11.645 -10.857 -13.617 669 1HB HIS 86 2HB HIS 86 13.483 -8.741 -14.761 670 2HB HIS 86 3HB HIS 86 12.695 -9.973 -15.746 671 HD1 HIS 86 HD1 HIS 86 10.501 -9.088 -13.016 672 HD2 HIS 86 HD2 HIS 86 11.354 -7.451 -16.755 673 HE1 HIS 86 HE1 HIS 86 8.584 -7.528 -13.570 674 H HIS 87 H HIS 87 14.931 -9.953 -14.495 675 HA HIS 87 HA HIS 87 16.065 -12.471 -13.596 676 1HB HIS 87 2HB HIS 87 15.096 -13.192 -15.702 677 2HB HIS 87 3HB HIS 87 15.801 -11.812 -16.543 678 HD1 HIS 87 HD1 HIS 87 17.261 -13.289 -18.086 679 HD2 HIS 87 HD2 HIS 87 18.024 -13.874 -14.029 680 HE1 HIS 87 HE1 HIS 87 19.399 -14.636 -17.947 681 H HIS 88 H HIS 88 16.443 -9.532 -15.540 682 HA HIS 88 HA HIS 88 19.283 -9.430 -15.409 683 1HB HIS 88 2HB HIS 88 17.721 -8.188 -17.021 684 2HB HIS 88 3HB HIS 88 17.461 -7.042 -15.708 685 HD1 HIS 88 HD1 HIS 88 19.813 -6.027 -14.667 686 HD2 HIS 88 HD2 HIS 88 19.979 -7.632 -18.511 687 HE1 HIS 88 HE1 HIS 88 21.922 -5.116 -15.734 688 H HIS 89 H HIS 89 20.618 -8.618 -13.885 689 HA HIS 89 HA HIS 89 19.809 -8.288 -11.232 690 1HB HIS 89 2HB HIS 89 22.265 -7.006 -12.440 691 2HB HIS 89 3HB HIS 89 22.038 -7.559 -10.780 692 HD1 HIS 89 HD1 HIS 89 22.497 -8.874 -14.296 693 HD2 HIS 89 HD2 HIS 89 22.465 -10.317 -10.385 694 HE1 HIS 89 HE1 HIS 89 23.308 -11.270 -14.410 695 H HIS 90 H HIS 90 19.783 -6.386 -9.884 696 HA HIS 90 HA HIS 90 19.395 -3.825 -11.266 697 1HB HIS 90 2HB HIS 90 17.190 -5.210 -10.805 698 2HB HIS 90 3HB HIS 90 17.396 -4.581 -9.172 699 HD1 HIS 90 HD1 HIS 90 15.665 -3.742 -12.101 700 HD2 HIS 90 HD2 HIS 90 18.073 -1.522 -9.521 701 HE1 HIS 90 HE1 HIS 90 15.078 -1.310 -12.487 702 H HIS 91 H HIS 91 21.444 -3.365 -10.273 703 HA HIS 91 HA HIS 91 21.321 -2.944 -7.349 704 1HB HIS 91 2HB HIS 91 23.176 -4.393 -8.300 705 2HB HIS 91 3HB HIS 91 23.799 -2.943 -9.086 706 HD1 HIS 91 HD1 HIS 91 22.625 -1.365 -6.310 707 HD2 HIS 91 HD2 HIS 91 25.678 -4.173 -6.716 708 HE1 HIS 91 HE1 HIS 91 24.133 -1.079 -4.296 Start of MODEL 7 1 1H MET 1 1HT MET 1 13.606 0.641 -0.990 2 2H MET 1 2HT MET 1 14.273 2.104 -1.537 3 3H MET 1 3HT MET 1 14.997 0.627 -1.961 4 HA MET 1 HA MET 1 12.567 1.889 -3.011 5 1HB MET 1 2HB MET 1 15.071 0.596 -4.036 6 2HB MET 1 3HB MET 1 13.637 0.588 -5.064 7 1HG MET 1 2HG MET 1 13.474 3.010 -4.948 8 2HG MET 1 3HG MET 1 14.796 3.079 -3.783 9 1HE MET 1 1HE MET 1 14.246 4.227 -7.127 10 2HE MET 1 2HE MET 1 15.961 4.608 -7.250 11 3HE MET 1 3HE MET 1 15.099 4.934 -5.749 12 H LYS 2 H LYS 2 13.298 -0.831 -1.282 13 HA LYS 2 HA LYS 2 10.946 -2.228 -2.299 14 1HB LYS 2 2HB LYS 2 12.239 -4.408 -2.347 15 2HB LYS 2 3HB LYS 2 12.605 -3.285 -3.655 16 1HG LYS 2 2HG LYS 2 14.694 -2.731 -2.785 17 2HG LYS 2 3HG LYS 2 14.236 -3.162 -1.136 18 1HD LYS 2 2HD LYS 2 14.179 -5.558 -1.800 19 2HD LYS 2 3HD LYS 2 14.709 -5.103 -3.420 20 1HE LYS 2 2HE LYS 2 16.683 -3.924 -2.183 21 2HE LYS 2 3HE LYS 2 16.236 -4.960 -0.828 22 1HZ LYS 2 1HZ LYS 2 16.487 -6.209 -3.454 23 2HZ LYS 2 1HZ LYS 2 16.866 -6.825 -1.918 24 3HZ LYS 2 3HZ LYS 2 17.922 -5.736 -2.683 25 H ILE 3 H ILE 3 10.810 -0.992 -0.017 26 HA ILE 3 HA ILE 3 10.408 -1.189 2.229 27 HB ILE 3 HB ILE 3 10.419 -4.153 1.629 28 1HG1 ILE 3 2HG1 ILE 3 8.007 -2.330 1.676 29 2HG1 ILE 3 3HG1 ILE 3 8.907 -2.624 0.188 30 1HG2 ILE 3 1HG2 ILE 3 8.896 -4.259 3.574 31 2HG2 ILE 3 2HG2 ILE 3 10.461 -3.588 4.032 32 3HG2 ILE 3 3HG2 ILE 3 9.076 -2.520 3.806 33 1HD1 ILE 3 1HD1 ILE 3 7.602 -4.736 1.930 34 2HD1 ILE 3 2HD1 ILE 3 7.039 -4.196 0.350 35 3HD1 ILE 3 3HD1 ILE 3 8.566 -5.067 0.490 36 H ILE 4 H ILE 4 12.204 -0.465 3.265 37 HA ILE 4 HA ILE 4 14.475 -2.316 3.615 38 HB ILE 4 HB ILE 4 14.514 0.555 4.483 39 1HG1 ILE 4 2HG1 ILE 4 13.582 0.562 2.183 40 2HG1 ILE 4 3HG1 ILE 4 15.211 1.226 2.226 41 1HG2 ILE 4 1HG2 ILE 4 16.902 0.282 3.728 42 2HG2 ILE 4 2HG2 ILE 4 16.440 -0.795 5.044 43 3HG2 ILE 4 3HG2 ILE 4 16.548 -1.413 3.397 44 1HD1 ILE 4 1HD1 ILE 4 16.130 -0.920 1.460 45 2HD1 ILE 4 2HD1 ILE 4 14.515 -1.627 1.466 46 3HD1 ILE 4 3HD1 ILE 4 14.910 -0.342 0.327 47 H SER 5 H SER 5 11.811 -0.937 5.258 48 HA SER 5 HA SER 5 12.367 -2.402 7.653 49 1HB SER 5 2HB SER 5 13.883 -0.401 7.915 50 2HB SER 5 3HB SER 5 12.443 0.611 7.918 51 HG SER 5 HG SER 5 13.445 -1.089 9.847 52 H ILE 6 H ILE 6 10.410 -3.097 8.194 53 HA ILE 6 HA ILE 6 8.049 -1.505 7.498 54 HB ILE 6 HB ILE 6 8.451 -4.362 8.375 55 1HG1 ILE 6 2HG1 ILE 6 8.716 -3.475 5.936 56 2HG1 ILE 6 3HG1 ILE 6 7.733 -4.912 6.203 57 1HG2 ILE 6 1HG2 ILE 6 5.898 -2.742 8.217 58 2HG2 ILE 6 2HG2 ILE 6 5.905 -4.501 8.094 59 3HG2 ILE 6 3HG2 ILE 6 6.485 -3.719 9.563 60 1HD1 ILE 6 1HD1 ILE 6 5.724 -3.761 5.872 61 2HD1 ILE 6 2HD1 ILE 6 6.440 -2.196 6.254 62 3HD1 ILE 6 3HD1 ILE 6 6.790 -2.972 4.710 63 H SER 7 H SER 7 6.386 -1.096 8.995 64 HA SER 7 HA SER 7 5.494 -0.395 10.970 65 1HB SER 7 2HB SER 7 5.856 -2.803 11.545 66 2HB SER 7 3HB SER 7 7.397 -2.348 12.266 67 HG SER 7 HG SER 7 5.231 -2.391 13.534 68 H GLU 8 H GLU 8 5.748 1.181 12.384 69 HA GLU 8 HA GLU 8 8.119 1.906 13.718 70 1HB GLU 8 2HB GLU 8 8.011 2.746 11.033 71 2HB GLU 8 3HB GLU 8 7.677 4.169 12.009 72 1HG GLU 8 2HG GLU 8 10.050 2.314 12.381 73 2HG GLU 8 3HG GLU 8 10.113 3.898 11.613 74 H THR 9 H THR 9 4.988 2.098 12.969 75 HA THR 9 HA THR 9 4.400 4.421 14.680 76 HB THR 9 HB THR 9 2.498 2.931 12.854 77 HG1 THR 9 HG1 THR 9 4.505 4.567 12.244 78 1HG2 THR 9 1HG2 THR 9 1.094 4.892 13.122 79 2HG2 THR 9 2HG2 THR 9 1.526 4.290 14.722 80 3HG2 THR 9 3HG2 THR 9 2.345 5.706 14.063 81 HA PRO 10 HA PRO 10 3.395 1.519 17.847 82 1HB PRO 10 2HB PRO 10 1.568 3.348 19.116 83 2HB PRO 10 3HB PRO 10 3.211 2.923 19.607 84 1HG PRO 10 2HG PRO 10 2.284 5.338 18.415 85 2HG PRO 10 3HG PRO 10 3.919 4.925 18.943 86 1HD PRO 10 2HD PRO 10 2.971 5.187 16.258 87 2HD PRO 10 3HD PRO 10 4.592 4.705 16.794 88 H ASN 11 H ASN 11 1.394 2.431 15.413 89 HA ASN 11 HA ASN 11 -1.077 1.299 16.496 90 1HB ASN 11 2HB ASN 11 -0.894 3.355 14.915 91 2HB ASN 11 3HB ASN 11 -0.657 2.160 13.641 92 1HD2 ASN 11 2HD2 ASN 11 -2.837 3.172 12.902 93 2HD2 ASN 11 1HD2 ASN 11 -4.253 2.483 13.535 94 H HIS 12 H HIS 12 -2.238 -0.169 14.703 95 HA HIS 12 HA HIS 12 -0.320 -2.117 13.617 96 1HB HIS 12 2HB HIS 12 -1.265 -3.964 14.711 97 2HB HIS 12 3HB HIS 12 -1.179 -2.739 15.975 98 HD1 HIS 12 HD1 HIS 12 -3.392 -1.786 16.871 99 HD2 HIS 12 HD2 HIS 12 -3.924 -4.477 13.732 100 HE1 HIS 12 HE1 HIS 12 -5.873 -2.285 16.767 101 H ASN 13 H ASN 13 -2.992 -0.205 13.147 102 HA ASN 13 HA ASN 13 -4.441 -2.000 11.372 103 1HB ASN 13 2HB ASN 13 -4.783 0.929 12.049 104 2HB ASN 13 3HB ASN 13 -5.829 0.050 10.935 105 1HD2 ASN 13 2HD2 ASN 13 -7.523 -1.163 11.848 106 2HD2 ASN 13 1HD2 ASN 13 -7.697 -1.453 13.513 107 H THR 14 H THR 14 -1.821 0.163 11.188 108 HA THR 14 HA THR 14 -1.629 -0.232 8.313 109 HB THR 14 HB THR 14 -2.885 1.848 8.360 110 HG1 THR 14 HG1 THR 14 -1.566 2.466 6.878 111 1HG2 THR 14 1HG2 THR 14 -2.065 2.330 10.793 112 2HG2 THR 14 2HG2 THR 14 -0.709 3.134 10.003 113 3HG2 THR 14 3HG2 THR 14 -2.355 3.693 9.714 114 H MET 15 H MET 15 0.453 -0.561 7.740 115 HA MET 15 HA MET 15 2.493 -0.163 9.825 116 1HB MET 15 2HB MET 15 2.440 -1.880 7.338 117 2HB MET 15 3HB MET 15 3.860 -1.697 8.367 118 1HG MET 15 2HG MET 15 2.263 -2.366 10.309 119 2HG MET 15 3HG MET 15 1.208 -2.965 9.031 120 1HE MET 15 1HE MET 15 1.930 -4.114 7.164 121 2HE MET 15 2HE MET 15 2.607 -5.723 7.396 122 3HE MET 15 3HE MET 15 3.636 -4.417 6.815 123 H LYS 16 H LYS 16 4.586 0.620 9.274 124 HA LYS 16 HA LYS 16 4.503 2.768 7.271 125 1HB LYS 16 2HB LYS 16 5.144 3.325 9.599 126 2HB LYS 16 3HB LYS 16 6.498 2.204 9.485 127 1HG LYS 16 2HG LYS 16 6.245 4.321 7.382 128 2HG LYS 16 3HG LYS 16 6.812 4.800 8.982 129 1HD LYS 16 2HD LYS 16 8.308 2.550 8.563 130 2HD LYS 16 3HD LYS 16 8.158 3.161 6.916 131 1HE LYS 16 2HE LYS 16 9.429 4.465 9.306 132 2HE LYS 16 3HE LYS 16 10.060 4.288 7.670 133 1HZ LYS 16 1HZ LYS 16 9.354 6.350 7.332 134 2HZ LYS 16 1HZ LYS 16 8.468 6.379 8.781 135 3HZ LYS 16 3HZ LYS 16 7.770 5.745 7.367 136 H ILE 17 H ILE 17 5.418 2.446 5.346 137 HA ILE 17 HA ILE 17 7.357 0.259 5.010 138 HB ILE 17 HB ILE 17 5.745 1.880 3.027 139 1HG1 ILE 17 2HG1 ILE 17 5.725 -1.088 3.668 140 2HG1 ILE 17 3HG1 ILE 17 4.596 0.072 4.368 141 1HG2 ILE 17 1HG2 ILE 17 6.721 0.090 1.417 142 2HG2 ILE 17 2HG2 ILE 17 7.754 1.446 1.863 143 3HG2 ILE 17 3HG2 ILE 17 7.972 -0.122 2.641 144 1HD1 ILE 17 1HD1 ILE 17 3.479 -0.885 2.477 145 2HD1 ILE 17 2HD1 ILE 17 3.985 0.731 1.982 146 3HD1 ILE 17 3HD1 ILE 17 4.899 -0.682 1.452 147 H THR 18 H THR 18 9.410 0.849 5.317 148 HA THR 18 HA THR 18 10.309 3.562 4.770 149 HB THR 18 HB THR 18 11.957 1.181 5.650 150 HG1 THR 18 HG1 THR 18 11.529 2.673 7.683 151 1HG2 THR 18 1HG2 THR 18 13.385 3.002 6.613 152 2HG2 THR 18 2HG2 THR 18 13.296 3.043 4.853 153 3HG2 THR 18 3HG2 THR 18 12.349 4.182 5.810 154 H LEU 19 H LEU 19 11.630 4.193 3.130 155 HA LEU 19 HA LEU 19 12.206 2.183 1.035 156 1HB LEU 19 2HB LEU 19 11.902 5.169 0.659 157 2HB LEU 19 3HB LEU 19 12.001 3.936 -0.598 158 HG LEU 19 HG LEU 19 9.801 3.963 1.484 159 1HD1 LEU 19 1HD1 LEU 19 9.543 6.035 0.315 160 2HD1 LEU 19 2HD1 LEU 19 9.930 5.288 -1.234 161 3HD1 LEU 19 3HD1 LEU 19 8.408 4.910 -0.430 162 1HD2 LEU 19 1HD2 LEU 19 10.233 2.574 -1.177 163 2HD2 LEU 19 2HD2 LEU 19 10.037 1.824 0.408 164 3HD2 LEU 19 3HD2 LEU 19 8.667 2.621 -0.366 165 H SER 20 H SER 20 14.205 2.317 -0.061 166 HA SER 20 HA SER 20 16.442 2.995 1.560 167 1HB SER 20 2HB SER 20 16.518 1.178 -0.105 168 2HB SER 20 3HB SER 20 16.318 2.355 -1.400 169 HG SER 20 HG SER 20 18.327 2.982 0.347 170 H GLU 21 H GLU 21 14.369 4.941 -0.098 171 HA GLU 21 HA GLU 21 16.361 6.828 -1.070 172 1HB GLU 21 2HB GLU 21 13.917 6.176 -2.033 173 2HB GLU 21 3HB GLU 21 13.494 7.577 -1.050 174 1HG GLU 21 2HG GLU 21 14.049 8.614 -3.053 175 2HG GLU 21 3HG GLU 21 15.601 8.657 -2.222 176 H SER 22 H SER 22 16.304 9.073 -0.423 177 HA SER 22 HA SER 22 15.066 9.696 2.150 178 1HB SER 22 2HB SER 22 18.044 10.034 1.730 179 2HB SER 22 3HB SER 22 17.132 10.374 3.198 180 HG SER 22 HG SER 22 16.699 7.851 2.310 181 H ARG 23 H ARG 23 16.499 12.075 2.601 182 HA ARG 23 HA ARG 23 16.156 14.310 2.085 183 1HB ARG 23 2HB ARG 23 17.218 13.571 -0.637 184 2HB ARG 23 3HB ARG 23 17.529 15.024 0.312 185 1HG ARG 23 2HG ARG 23 18.678 13.544 2.020 186 2HG ARG 23 3HG ARG 23 18.544 12.223 0.858 187 1HD ARG 23 2HD ARG 23 20.020 13.219 -0.650 188 2HD ARG 23 3HD ARG 23 19.745 14.836 -0.008 189 HE ARG 23 HE ARG 23 21.075 14.144 1.961 190 1HH1 ARG 23 1HH2 ARG 23 21.927 13.256 -1.178 191 2HH1 ARG 23 2HH2 ARG 23 23.177 12.149 -0.719 192 1HH2 ARG 23 1HH1 ARG 23 22.425 12.276 2.660 193 2HH2 ARG 23 2HH1 ARG 23 23.458 11.595 1.449 194 H GLU 24 H GLU 24 15.862 15.116 -0.838 195 HA GLU 24 HA GLU 24 14.038 15.994 -1.979 196 1HB GLU 24 2HB GLU 24 14.605 13.850 -3.102 197 2HB GLU 24 3HB GLU 24 13.415 13.031 -2.094 198 1HG GLU 24 2HG GLU 24 11.718 14.749 -2.989 199 2HG GLU 24 3HG GLU 24 12.937 15.154 -4.194 200 H GLY 25 H GLY 25 12.122 13.253 -0.980 201 1HA GLY 25 1HA GLY 25 10.786 13.784 1.230 202 2HA GLY 25 2HA GLY 25 10.151 15.066 0.202 203 H MET 26 H MET 26 10.673 12.962 -2.070 204 HA MET 26 HA MET 26 9.314 11.604 -3.333 205 1HB MET 26 2HB MET 26 9.995 10.173 -1.224 206 2HB MET 26 3HB MET 26 8.287 10.334 -0.820 207 1HG MET 26 2HG MET 26 8.566 8.305 -2.115 208 2HG MET 26 3HG MET 26 7.727 9.486 -3.119 209 1HE MET 26 1HE MET 26 10.191 6.866 -3.111 210 2HE MET 26 2HE MET 26 11.173 7.970 -2.149 211 3HE MET 26 3HE MET 26 11.717 7.488 -3.754 212 H THR 27 H THR 27 8.235 14.126 -2.093 213 HA THR 27 HA THR 27 6.258 15.264 -1.848 214 HB THR 27 HB THR 27 4.664 14.923 -3.604 215 HG1 THR 27 HG1 THR 27 5.884 12.398 -4.004 216 1HG2 THR 27 1HG2 THR 27 6.922 15.730 -4.282 217 2HG2 THR 27 2HG2 THR 27 7.380 14.065 -4.639 218 3HG2 THR 27 3HG2 THR 27 6.103 14.848 -5.570 219 H SER 28 H SER 28 3.592 14.429 -2.054 220 HA SER 28 HA SER 28 3.177 12.179 -0.273 221 1HB SER 28 2HB SER 28 2.098 13.477 1.494 222 2HB SER 28 3HB SER 28 3.768 14.001 1.297 223 HG SER 28 HG SER 28 1.689 15.518 1.246 224 H ASP 29 H ASP 29 1.213 11.288 -0.601 225 HA ASP 29 HA ASP 29 -1.016 12.850 -1.602 226 1HB ASP 29 2HB ASP 29 0.564 11.010 -3.347 227 2HB ASP 29 3HB ASP 29 -1.187 11.051 -3.541 228 H THR 30 H THR 30 -2.972 11.871 -1.277 229 HA THR 30 HA THR 30 -2.914 9.343 0.241 230 HB THR 30 HB THR 30 -5.164 11.357 0.008 231 HG1 THR 30 HG1 THR 30 -3.879 11.195 2.386 232 1HG2 THR 30 1HG2 THR 30 -5.572 10.099 2.336 233 2HG2 THR 30 2HG2 THR 30 -6.204 9.468 0.816 234 3HG2 THR 30 3HG2 THR 30 -4.715 8.809 1.494 235 H TYR 31 H TYR 31 -3.524 7.546 -0.787 236 HA TYR 31 HA TYR 31 -5.158 7.804 -3.234 237 1HB TYR 31 2HB TYR 31 -3.466 5.451 -2.367 238 2HB TYR 31 3HB TYR 31 -4.208 5.712 -3.945 239 HD1 TYR 31 HD1 TYR 31 -1.159 5.782 -2.378 240 HD2 TYR 31 HD2 TYR 31 -3.644 8.312 -4.807 241 HE1 TYR 31 HE1 TYR 31 0.844 7.041 -3.119 242 HE2 TYR 31 HE2 TYR 31 -1.640 9.569 -5.546 243 HH TYR 31 HH TYR 31 1.538 8.951 -4.141 244 H THR 32 H THR 32 -7.233 7.402 -2.943 245 HA THR 32 HA THR 32 -8.029 5.147 -1.209 246 HB THR 32 HB THR 32 -10.096 6.632 -0.690 247 HG1 THR 32 HG1 THR 32 -8.864 8.225 -2.276 248 1HG2 THR 32 1HG2 THR 32 -7.324 7.071 0.436 249 2HG2 THR 32 2HG2 THR 32 -8.760 7.805 1.149 250 3HG2 THR 32 3HG2 THR 32 -8.612 6.050 1.079 251 H LYS 33 H LYS 33 -7.971 6.319 -4.270 252 HA LYS 33 HA LYS 33 -10.131 4.582 -5.109 253 1HB LYS 33 2HB LYS 33 -11.194 6.462 -6.473 254 2HB LYS 33 3HB LYS 33 -11.493 6.493 -4.736 255 1HG LYS 33 2HG LYS 33 -10.112 8.320 -4.385 256 2HG LYS 33 3HG LYS 33 -9.096 7.956 -5.780 257 1HD LYS 33 2HD LYS 33 -11.958 8.667 -6.280 258 2HD LYS 33 3HD LYS 33 -10.847 9.964 -5.839 259 1HE LYS 33 2HE LYS 33 -9.496 9.622 -7.734 260 2HE LYS 33 3HE LYS 33 -10.112 7.991 -7.994 261 1HZ LYS 33 1HZ LYS 33 -11.799 8.762 -9.193 262 2HZ LYS 33 1HZ LYS 33 -10.984 10.253 -9.235 263 3HZ LYS 33 3HZ LYS 33 -12.179 9.967 -8.061 264 H VAL 34 H VAL 34 -7.198 4.957 -5.469 265 HA VAL 34 HA VAL 34 -5.595 4.856 -7.120 266 HB VAL 34 HB VAL 34 -7.876 3.785 -8.787 267 1HG1 VAL 34 1HG1 VAL 34 -5.788 2.247 -9.414 268 2HG1 VAL 34 2HG1 VAL 34 -6.053 3.795 -10.214 269 3HG1 VAL 34 3HG1 VAL 34 -4.888 3.672 -8.894 270 1HG2 VAL 34 1HG2 VAL 34 -6.257 2.501 -6.582 271 2HG2 VAL 34 2HG2 VAL 34 -8.012 2.593 -6.725 272 3HG2 VAL 34 3HG2 VAL 34 -7.092 1.552 -7.810 273 H ASP 35 H ASP 35 -5.213 5.363 -9.588 274 HA ASP 35 HA ASP 35 -5.020 6.995 -11.187 275 1HB ASP 35 2HB ASP 35 -7.891 7.705 -10.585 276 2HB ASP 35 3HB ASP 35 -7.024 7.869 -12.110 277 H ASP 36 H ASP 36 -3.573 8.350 -10.200 278 HA ASP 36 HA ASP 36 -4.488 10.977 -9.517 279 1HB ASP 36 2HB ASP 36 -4.877 9.587 -7.390 280 2HB ASP 36 3HB ASP 36 -3.125 9.471 -7.279 281 H SER 37 H SER 37 -1.896 8.601 -9.245 282 HA SER 37 HA SER 37 -0.038 9.674 -10.926 283 1HB SER 37 2HB SER 37 0.248 11.728 -9.859 284 2HB SER 37 3HB SER 37 -0.014 11.048 -8.256 285 HG SER 37 HG SER 37 2.254 10.813 -9.939 286 H GLN 38 H GLN 38 -0.811 8.023 -8.004 287 HA GLN 38 HA GLN 38 1.536 6.844 -7.202 288 1HB GLN 38 2HB GLN 38 0.178 5.028 -6.315 289 2HB GLN 38 3HB GLN 38 -0.662 6.558 -6.083 290 1HG GLN 38 2HG GLN 38 -1.212 5.021 -8.590 291 2HG GLN 38 3HG GLN 38 -1.919 4.437 -7.090 292 1HE2 GLN 38 2HE2 GLN 38 -3.422 5.915 -5.945 293 2HE2 GLN 38 1HE2 GLN 38 -4.178 7.178 -6.789 294 HA PRO 39 HA PRO 39 3.061 4.341 -10.477 295 1HB PRO 39 2HB PRO 39 3.704 2.099 -8.795 296 2HB PRO 39 3HB PRO 39 4.799 3.332 -9.433 297 1HG PRO 39 2HG PRO 39 3.805 3.013 -6.766 298 2HG PRO 39 3HG PRO 39 5.004 4.157 -7.374 299 1HD PRO 39 2HD PRO 39 2.373 4.757 -6.518 300 2HD PRO 39 3HD PRO 39 3.501 5.855 -7.336 301 H ALA 40 H ALA 40 2.238 2.787 -11.869 302 HA ALA 40 HA ALA 40 -0.350 1.851 -11.659 303 1HB ALA 40 1HB ALA 40 0.298 0.119 -13.335 304 2HB ALA 40 2HB ALA 40 0.852 1.737 -13.766 305 3HB ALA 40 3HB ALA 40 1.987 0.566 -13.094 306 H PHE 41 H PHE 41 2.649 0.293 -10.655 307 HA PHE 41 HA PHE 41 1.690 -2.192 -9.859 308 1HB PHE 41 2HB PHE 41 3.823 -0.656 -8.371 309 2HB PHE 41 3HB PHE 41 3.687 -2.402 -8.584 310 HD1 PHE 41 HD1 PHE 41 5.343 0.468 -9.736 311 HD2 PHE 41 HD2 PHE 41 3.521 -3.150 -11.173 312 HE1 PHE 41 HE1 PHE 41 6.680 0.620 -11.818 313 HE2 PHE 41 HE2 PHE 41 4.858 -2.995 -13.255 314 HZ PHE 41 HZ PHE 41 6.437 -1.110 -13.578 315 H ILE 42 H ILE 42 1.634 0.912 -8.157 316 HA ILE 42 HA ILE 42 0.700 -0.164 -5.672 317 HB ILE 42 HB ILE 42 1.007 2.573 -6.838 318 1HG1 ILE 42 2HG1 ILE 42 2.770 1.240 -5.523 319 2HG1 ILE 42 3HG1 ILE 42 2.456 2.886 -4.978 320 1HG2 ILE 42 1HG2 ILE 42 -1.176 2.819 -5.874 321 2HG2 ILE 42 2HG2 ILE 42 -0.727 1.875 -4.454 322 3HG2 ILE 42 3HG2 ILE 42 -0.036 3.479 -4.701 323 1HD1 ILE 42 1HD1 ILE 42 0.757 0.783 -3.754 324 2HD1 ILE 42 2HD1 ILE 42 2.464 0.747 -3.310 325 3HD1 ILE 42 3HD1 ILE 42 1.507 2.199 -3.017 326 H ASN 43 H ASN 43 -0.835 0.754 -8.667 327 HA ASN 43 HA ASN 43 -3.453 1.226 -7.733 328 1HB ASN 43 2HB ASN 43 -2.640 -0.079 -10.343 329 2HB ASN 43 3HB ASN 43 -4.176 0.691 -9.995 330 1HD2 ASN 43 2HD2 ASN 43 -1.785 2.509 -8.458 331 2HD2 ASN 43 1HD2 ASN 43 -1.537 3.668 -9.672 332 H ASP 44 H ASP 44 -1.695 -1.707 -8.607 333 HA ASP 44 HA ASP 44 -3.766 -3.579 -8.444 334 1HB ASP 44 2HB ASP 44 -1.336 -3.939 -9.176 335 2HB ASP 44 3HB ASP 44 -0.958 -4.097 -7.462 336 H ILE 45 H ILE 45 -1.646 -2.275 -5.920 337 HA ILE 45 HA ILE 45 -2.543 -3.817 -3.759 338 HB ILE 45 HB ILE 45 -1.613 -0.931 -3.702 339 1HG1 ILE 45 2HG1 ILE 45 -0.089 -3.556 -3.685 340 2HG1 ILE 45 3HG1 ILE 45 0.022 -2.272 -4.887 341 1HG2 ILE 45 1HG2 ILE 45 -2.676 -1.865 -1.610 342 2HG2 ILE 45 2HG2 ILE 45 -1.405 -3.087 -1.584 343 3HG2 ILE 45 3HG2 ILE 45 -0.993 -1.381 -1.415 344 1HD1 ILE 45 1HD1 ILE 45 1.787 -1.545 -3.660 345 2HD1 ILE 45 2HD1 ILE 45 0.566 -0.912 -2.556 346 3HD1 ILE 45 3HD1 ILE 45 1.306 -2.483 -2.246 347 H LEU 46 H LEU 46 -3.481 -0.455 -4.506 348 HA LEU 46 HA LEU 46 -5.500 -0.069 -2.727 349 1HB LEU 46 2HB LEU 46 -5.269 0.830 -5.592 350 2HB LEU 46 3HB LEU 46 -6.572 1.376 -4.535 351 HG LEU 46 HG LEU 46 -3.673 1.573 -3.702 352 1HD1 LEU 46 1HD1 LEU 46 -4.154 2.793 -5.897 353 2HD1 LEU 46 2HD1 LEU 46 -5.260 3.811 -4.976 354 3HD1 LEU 46 3HD1 LEU 46 -3.543 3.789 -4.577 355 1HD2 LEU 46 1HD2 LEU 46 -4.738 3.506 -2.366 356 2HD2 LEU 46 2HD2 LEU 46 -6.291 2.807 -2.823 357 3HD2 LEU 46 3HD2 LEU 46 -5.149 1.868 -1.861 358 H LYS 47 H LYS 47 -5.714 -1.978 -5.700 359 HA LYS 47 HA LYS 47 -8.576 -2.352 -5.454 360 1HB LYS 47 2HB LYS 47 -6.457 -3.417 -7.304 361 2HB LYS 47 3HB LYS 47 -8.093 -4.075 -7.319 362 1HG LYS 47 2HG LYS 47 -9.035 -2.099 -8.090 363 2HG LYS 47 3HG LYS 47 -7.749 -1.099 -7.410 364 1HD LYS 47 2HD LYS 47 -6.291 -1.527 -9.178 365 2HD LYS 47 3HD LYS 47 -7.082 -3.047 -9.598 366 1HE LYS 47 2HE LYS 47 -8.542 -0.423 -9.881 367 2HE LYS 47 3HE LYS 47 -7.467 -1.002 -11.154 368 1HZ LYS 47 1HZ LYS 47 -10.024 -1.661 -11.018 369 2HZ LYS 47 1HZ LYS 47 -9.372 -2.926 -10.091 370 3HZ LYS 47 3HZ LYS 47 -8.847 -2.682 -11.688 371 H VAL 48 H VAL 48 -5.839 -3.844 -4.057 372 HA VAL 48 HA VAL 48 -6.952 -6.495 -3.808 373 HB VAL 48 HB VAL 48 -4.576 -5.108 -2.562 374 1HG1 VAL 48 1HG1 VAL 48 -3.995 -7.413 -1.686 375 2HG1 VAL 48 2HG1 VAL 48 -5.339 -6.629 -0.858 376 3HG1 VAL 48 3HG1 VAL 48 -5.653 -7.894 -2.048 377 1HG2 VAL 48 1HG2 VAL 48 -4.724 -6.007 -5.019 378 2HG2 VAL 48 2HG2 VAL 48 -3.305 -6.404 -4.050 379 3HG2 VAL 48 3HG2 VAL 48 -4.591 -7.593 -4.263 380 H GLU 49 H GLU 49 -8.545 -7.039 -2.463 381 HA GLU 49 HA GLU 49 -9.740 -5.350 -0.597 382 1HB GLU 49 2HB GLU 49 -11.050 -7.189 0.065 383 2HB GLU 49 3HB GLU 49 -10.631 -7.539 -1.610 384 1HG GLU 49 2HG GLU 49 -8.625 -8.846 -0.653 385 2HG GLU 49 3HG GLU 49 -9.452 -8.739 0.899 386 H GLY 50 H GLY 50 -9.590 -5.076 1.609 387 1HA GLY 50 1HA GLY 50 -8.753 -5.428 3.784 388 2HA GLY 50 2HA GLY 50 -7.561 -6.544 3.127 389 H VAL 51 H VAL 51 -7.539 -3.987 1.110 390 HA VAL 51 HA VAL 51 -5.057 -2.966 2.162 391 HB VAL 51 HB VAL 51 -6.590 -2.615 -0.379 392 1HG1 VAL 51 1HG1 VAL 51 -4.364 -0.821 0.635 393 2HG1 VAL 51 2HG1 VAL 51 -4.809 -0.954 -1.064 394 3HG1 VAL 51 3HG1 VAL 51 -5.972 -0.325 0.103 395 1HG2 VAL 51 1HG2 VAL 51 -3.780 -3.409 0.444 396 2HG2 VAL 51 2HG2 VAL 51 -5.032 -4.463 -0.208 397 3HG2 VAL 51 3HG2 VAL 51 -4.287 -3.241 -1.231 398 H LYS 52 H LYS 52 -8.327 -2.028 2.395 399 HA LYS 52 HA LYS 52 -9.451 -0.237 3.217 400 1HB LYS 52 2HB LYS 52 -8.291 -0.876 5.260 401 2HB LYS 52 3HB LYS 52 -6.872 0.044 4.773 402 1HG LYS 52 2HG LYS 52 -7.807 2.048 5.333 403 2HG LYS 52 3HG LYS 52 -9.407 1.573 4.766 404 1HD LYS 52 2HD LYS 52 -8.227 0.371 7.270 405 2HD LYS 52 3HD LYS 52 -9.080 1.913 7.317 406 1HE LYS 52 2HE LYS 52 -11.123 0.959 6.722 407 2HE LYS 52 3HE LYS 52 -10.364 -0.430 5.943 408 1HZ LYS 52 1HZ LYS 52 -9.541 -0.987 8.279 409 2HZ LYS 52 1HZ LYS 52 -11.179 -1.273 7.927 410 3HZ LYS 52 3HZ LYS 52 -10.726 0.098 8.825 411 H SER 53 H SER 53 -6.120 0.943 3.107 412 HA SER 53 HA SER 53 -6.518 2.666 0.882 413 1HB SER 53 2HB SER 53 -6.440 4.844 2.178 414 2HB SER 53 3HB SER 53 -7.971 3.977 2.251 415 HG SER 53 HG SER 53 -6.141 3.251 4.174 416 H ILE 54 H ILE 54 -4.778 4.444 0.856 417 HA ILE 54 HA ILE 54 -2.338 3.562 2.252 418 HB ILE 54 HB ILE 54 -2.538 4.167 -0.712 419 1HG1 ILE 54 2HG1 ILE 54 -1.823 1.572 0.693 420 2HG1 ILE 54 3HG1 ILE 54 -3.418 1.917 0.026 421 1HG2 ILE 54 1HG2 ILE 54 -0.422 4.954 0.111 422 2HG2 ILE 54 2HG2 ILE 54 -0.209 3.519 1.115 423 3HG2 ILE 54 3HG2 ILE 54 -0.116 3.389 -0.641 424 1HD1 ILE 54 1HD1 ILE 54 -2.011 2.498 -2.152 425 2HD1 ILE 54 2HD1 ILE 54 -0.835 1.418 -1.402 426 3HD1 ILE 54 3HD1 ILE 54 -2.454 0.832 -1.780 427 H PHE 55 H PHE 55 -0.860 5.199 2.662 428 HA PHE 55 HA PHE 55 -1.640 7.933 1.884 429 1HB PHE 55 2HB PHE 55 -2.489 7.514 4.162 430 2HB PHE 55 3HB PHE 55 -0.867 7.057 4.679 431 HD1 PHE 55 HD1 PHE 55 0.342 8.709 5.787 432 HD2 PHE 55 HD2 PHE 55 -2.478 9.860 2.757 433 HE1 PHE 55 HE1 PHE 55 0.879 11.095 6.193 434 HE2 PHE 55 HE2 PHE 55 -1.938 12.247 3.162 435 HZ PHE 55 HZ PHE 55 -0.260 12.862 4.880 436 H HIS 56 H HIS 56 0.007 8.561 0.651 437 HA HIS 56 HA HIS 56 2.740 7.728 1.303 438 1HB HIS 56 2HB HIS 56 1.713 7.681 -1.059 439 2HB HIS 56 3HB HIS 56 1.905 9.433 -1.038 440 HD1 HIS 56 HD1 HIS 56 3.628 6.671 -2.281 441 HD2 HIS 56 HD2 HIS 56 4.849 9.908 0.043 442 HE1 HIS 56 HE1 HIS 56 6.140 6.841 -2.552 443 H VAL 57 H VAL 57 4.165 9.023 2.266 444 HA VAL 57 HA VAL 57 4.090 11.886 2.017 445 HB VAL 57 HB VAL 57 2.307 11.363 3.758 446 1HG1 VAL 57 1HG1 VAL 57 4.691 10.752 5.517 447 2HG1 VAL 57 2HG1 VAL 57 2.981 10.616 5.926 448 3HG1 VAL 57 3HG1 VAL 57 3.706 9.488 4.780 449 1HG2 VAL 57 1HG2 VAL 57 4.661 12.946 4.824 450 2HG2 VAL 57 2HG2 VAL 57 3.618 13.539 3.531 451 3HG2 VAL 57 3HG2 VAL 57 2.946 13.223 5.131 452 H MET 58 H MET 58 6.001 12.855 2.740 453 HA MET 58 HA MET 58 8.279 12.902 3.032 454 1HB MET 58 2HB MET 58 7.223 12.293 5.374 455 2HB MET 58 3HB MET 58 8.028 10.750 5.099 456 1HG MET 58 2HG MET 58 9.786 11.854 6.087 457 2HG MET 58 3HG MET 58 10.049 12.408 4.435 458 1HE MET 58 1HE MET 58 8.637 14.536 8.117 459 2HE MET 58 2HE MET 58 8.702 12.811 7.762 460 3HE MET 58 3HE MET 58 7.276 13.743 7.311 461 H ASP 59 H ASP 59 9.786 10.513 4.096 462 HA ASP 59 HA ASP 59 10.130 9.202 1.497 463 1HB ASP 59 2HB ASP 59 12.275 8.438 2.393 464 2HB ASP 59 3HB ASP 59 12.110 10.182 2.561 465 H PHE 60 H PHE 60 7.811 8.399 2.820 466 HA PHE 60 HA PHE 60 8.255 5.565 2.937 467 1HB PHE 60 2HB PHE 60 7.633 5.127 5.197 468 2HB PHE 60 3HB PHE 60 8.916 6.331 5.255 469 HD1 PHE 60 HD1 PHE 60 5.279 5.762 5.624 470 HD2 PHE 60 HD2 PHE 60 8.482 8.601 5.983 471 HE1 PHE 60 HE1 PHE 60 3.786 7.285 6.887 472 HE2 PHE 60 HE2 PHE 60 6.989 10.124 7.246 473 HZ PHE 60 HZ PHE 60 4.641 9.466 7.699 474 H ILE 61 H ILE 61 6.116 4.434 3.614 475 HA ILE 61 HA ILE 61 3.778 6.035 2.805 476 HB ILE 61 HB ILE 61 4.294 3.276 1.685 477 1HG1 ILE 61 2HG1 ILE 61 4.861 5.980 0.419 478 2HG1 ILE 61 3HG1 ILE 61 6.070 4.783 0.878 479 1HG2 ILE 61 1HG2 ILE 61 2.433 3.710 0.310 480 2HG2 ILE 61 2HG2 ILE 61 1.952 4.405 1.856 481 3HG2 ILE 61 3HG2 ILE 61 2.535 5.452 0.563 482 1HD1 ILE 61 1HD1 ILE 61 4.655 3.186 -0.670 483 2HD1 ILE 61 2HD1 ILE 61 4.088 4.699 -1.374 484 3HD1 ILE 61 3HD1 ILE 61 5.808 4.310 -1.389 485 H SER 62 H SER 62 2.008 5.629 3.982 486 HA SER 62 HA SER 62 2.128 3.448 5.958 487 1HB SER 62 2HB SER 62 1.664 5.352 7.174 488 2HB SER 62 3HB SER 62 0.806 6.124 5.846 489 HG SER 62 HG SER 62 -0.948 4.815 6.249 490 H VAL 63 H VAL 63 1.224 1.628 5.222 491 HA VAL 63 HA VAL 63 -1.152 1.788 3.494 492 HB VAL 63 HB VAL 63 0.608 -0.585 4.165 493 1HG1 VAL 63 1HG1 VAL 63 -1.660 -1.254 3.524 494 2HG1 VAL 63 2HG1 VAL 63 -1.603 -0.187 2.121 495 3HG1 VAL 63 3HG1 VAL 63 -0.549 -1.599 2.199 496 1HG2 VAL 63 1HG2 VAL 63 0.525 1.312 1.799 497 2HG2 VAL 63 2HG2 VAL 63 1.881 1.029 2.892 498 3HG2 VAL 63 3HG2 VAL 63 1.370 -0.236 1.773 499 H ASP 64 H ASP 64 -2.999 1.841 4.581 500 HA ASP 64 HA ASP 64 -3.294 0.518 7.170 501 1HB ASP 64 2HB ASP 64 -5.338 2.038 5.561 502 2HB ASP 64 3HB ASP 64 -5.452 1.614 7.258 503 H LYS 65 H LYS 65 -4.741 -1.163 7.579 504 HA LYS 65 HA LYS 65 -5.861 -2.469 5.171 505 1HB LYS 65 2HB LYS 65 -5.586 -4.628 6.466 506 2HB LYS 65 3HB LYS 65 -4.083 -3.869 5.940 507 1HG LYS 65 2HG LYS 65 -3.506 -3.204 8.089 508 2HG LYS 65 3HG LYS 65 -5.180 -3.168 8.643 509 1HD LYS 65 2HD LYS 65 -5.254 -5.647 8.507 510 2HD LYS 65 3HD LYS 65 -3.556 -5.657 8.033 511 1HE LYS 65 2HE LYS 65 -3.503 -6.029 10.371 512 2HE LYS 65 3HE LYS 65 -3.140 -4.312 10.200 513 1HZ LYS 65 1HZ LYS 65 -5.928 -5.192 10.504 514 2HZ LYS 65 1HZ LYS 65 -5.219 -3.706 10.918 515 3HZ LYS 65 3HZ LYS 65 -4.933 -5.082 11.872 516 H GLU 66 H GLU 66 -7.666 -4.058 5.818 517 HA GLU 66 HA GLU 66 -9.799 -2.602 6.912 518 1HB GLU 66 2HB GLU 66 -9.368 -5.286 5.871 519 2HB GLU 66 3HB GLU 66 -10.512 -5.283 7.211 520 1HG GLU 66 2HG GLU 66 -11.872 -4.874 5.327 521 2HG GLU 66 3HG GLU 66 -11.612 -3.268 6.003 522 H ASN 67 H ASN 67 -11.197 -3.895 8.715 523 HA ASN 67 HA ASN 67 -10.505 -3.163 11.179 524 1HB ASN 67 2HB ASN 67 -11.560 -5.962 10.796 525 2HB ASN 67 3HB ASN 67 -11.915 -4.829 12.096 526 1HD2 ASN 67 2HD2 ASN 67 -13.865 -3.731 11.865 527 2HD2 ASN 67 1HD2 ASN 67 -14.672 -3.483 10.393 528 H ASP 68 H ASP 68 -9.657 -6.433 10.028 529 HA ASP 68 HA ASP 68 -7.136 -6.269 11.537 530 1HB ASP 68 2HB ASP 68 -7.466 -8.553 12.402 531 2HB ASP 68 3HB ASP 68 -8.714 -7.459 12.992 532 H ALA 69 H ALA 69 -9.085 -8.298 9.349 533 HA ALA 69 HA ALA 69 -8.491 -9.610 7.556 534 1HB ALA 69 1HB ALA 69 -7.434 -8.424 5.823 535 2HB ALA 69 2HB ALA 69 -8.172 -7.161 6.806 536 3HB ALA 69 3HB ALA 69 -6.445 -7.488 6.943 537 H ASN 70 H ASN 70 -5.846 -9.544 6.260 538 HA ASN 70 HA ASN 70 -4.100 -10.770 8.280 539 1HB ASN 70 2HB ASN 70 -5.187 -12.128 5.817 540 2HB ASN 70 3HB ASN 70 -3.673 -12.637 6.562 541 1HD2 ASN 70 2HD2 ASN 70 -7.143 -12.102 7.346 542 2HD2 ASN 70 1HD2 ASN 70 -7.195 -13.269 8.577 543 H TRP 71 H TRP 71 -2.096 -10.021 8.051 544 HA TRP 71 HA TRP 71 -1.357 -8.374 5.817 545 1HB TRP 71 2HB TRP 71 -0.032 -9.299 8.336 546 2HB TRP 71 3HB TRP 71 0.976 -8.660 7.038 547 HD1 TRP 71 HD1 TRP 71 -0.982 -7.560 9.919 548 HE1 TRP 71 HE1 TRP 71 -1.412 -5.020 9.836 549 HE3 TRP 71 HE3 TRP 71 0.348 -6.595 5.081 550 HZ2 TRP 71 HZ2 TRP 71 -1.220 -2.865 7.967 551 HZ3 TRP 71 HZ3 TRP 71 0.214 -4.291 4.179 552 HH2 TRP 71 HH2 TRP 71 -0.566 -2.427 5.613 553 H GLU 72 H GLU 72 -0.398 -11.582 6.994 554 HA GLU 72 HA GLU 72 1.563 -12.186 5.104 555 1HB GLU 72 2HB GLU 72 0.764 -13.492 7.220 556 2HB GLU 72 3HB GLU 72 -0.337 -14.289 6.097 557 1HG GLU 72 2HG GLU 72 1.575 -15.671 6.069 558 2HG GLU 72 3HG GLU 72 1.764 -14.675 4.628 559 H THR 73 H THR 73 -1.856 -11.943 4.731 560 HA THR 73 HA THR 73 -1.949 -13.540 2.296 561 HB THR 73 HB THR 73 -3.972 -11.967 3.882 562 HG1 THR 73 HG1 THR 73 -3.296 -14.199 4.332 563 1HG2 THR 73 1HG2 THR 73 -5.618 -12.852 2.118 564 2HG2 THR 73 2HG2 THR 73 -4.638 -11.459 1.660 565 3HG2 THR 73 3HG2 THR 73 -4.210 -13.070 1.079 566 H VAL 74 H VAL 74 -2.250 -10.170 3.280 567 HA VAL 74 HA VAL 74 -2.563 -9.158 0.624 568 HB VAL 74 HB VAL 74 -2.609 -8.159 3.352 569 1HG1 VAL 74 1HG1 VAL 74 -1.261 -6.452 1.246 570 2HG1 VAL 74 2HG1 VAL 74 -1.888 -5.844 2.777 571 3HG1 VAL 74 3HG1 VAL 74 -0.556 -6.999 2.768 572 1HG2 VAL 74 1HG2 VAL 74 -4.545 -8.180 1.880 573 2HG2 VAL 74 2HG2 VAL 74 -4.139 -6.507 2.264 574 3HG2 VAL 74 3HG2 VAL 74 -3.698 -7.184 0.696 575 H LEU 75 H LEU 75 0.163 -9.457 2.872 576 HA LEU 75 HA LEU 75 2.051 -7.876 1.657 577 1HB LEU 75 2HB LEU 75 2.096 -10.143 3.470 578 2HB LEU 75 3HB LEU 75 3.504 -10.127 2.409 579 HG LEU 75 HG LEU 75 2.569 -7.633 3.835 580 1HD1 LEU 75 1HD1 LEU 75 4.604 -9.658 4.813 581 2HD1 LEU 75 2HD1 LEU 75 4.229 -8.113 5.576 582 3HD1 LEU 75 3HD1 LEU 75 3.012 -9.388 5.524 583 1HD2 LEU 75 1HD2 LEU 75 4.234 -7.696 1.832 584 2HD2 LEU 75 2HD2 LEU 75 4.689 -6.775 3.264 585 3HD2 LEU 75 3HD2 LEU 75 5.370 -8.378 2.995 586 HA PRO 76 HA PRO 76 3.485 -11.678 -1.132 587 1HB PRO 76 2HB PRO 76 1.021 -12.998 -1.832 588 2HB PRO 76 3HB PRO 76 2.451 -13.688 -1.053 589 1HG PRO 76 2HG PRO 76 -0.075 -12.867 0.119 590 2HG PRO 76 3HG PRO 76 1.206 -13.876 0.798 591 1HD PRO 76 2HD PRO 76 0.635 -11.319 1.666 592 2HD PRO 76 3HD PRO 76 2.218 -12.104 1.856 593 H LYS 77 H LYS 77 0.362 -10.053 -1.291 594 HA LYS 77 HA LYS 77 0.441 -9.727 -4.172 595 1HB LYS 77 2HB LYS 77 -1.340 -8.278 -2.202 596 2HB LYS 77 3HB LYS 77 -1.624 -8.541 -3.923 597 1HG LYS 77 2HG LYS 77 -1.418 -11.090 -3.252 598 2HG LYS 77 3HG LYS 77 -1.835 -10.487 -1.649 599 1HD LYS 77 2HD LYS 77 -3.951 -10.903 -2.527 600 2HD LYS 77 3HD LYS 77 -3.738 -9.206 -2.952 601 1HE LYS 77 2HE LYS 77 -2.794 -9.997 -5.177 602 2HE LYS 77 3HE LYS 77 -3.343 -11.615 -4.742 603 1HZ LYS 77 1HZ LYS 77 -5.155 -10.833 -5.858 604 2HZ LYS 77 1HZ LYS 77 -4.913 -9.223 -5.377 605 3HZ LYS 77 3HZ LYS 77 -5.564 -10.349 -4.285 606 H VAL 78 H VAL 78 1.005 -7.778 -1.280 607 HA VAL 78 HA VAL 78 1.519 -5.314 -2.599 608 HB VAL 78 HB VAL 78 2.279 -6.394 0.126 609 1HG1 VAL 78 1HG1 VAL 78 3.975 -4.800 -0.250 610 2HG1 VAL 78 2HG1 VAL 78 2.915 -3.755 -1.194 611 3HG1 VAL 78 3HG1 VAL 78 2.716 -3.864 0.554 612 1HG2 VAL 78 1HG2 VAL 78 0.451 -5.142 0.911 613 2HG2 VAL 78 2HG2 VAL 78 0.426 -4.102 -0.513 614 3HG2 VAL 78 3HG2 VAL 78 -0.150 -5.765 -0.626 615 H GLU 79 H GLU 79 3.605 -7.970 -1.513 616 HA GLU 79 HA GLU 79 6.105 -6.848 -1.973 617 1HB GLU 79 2HB GLU 79 5.090 -9.679 -2.164 618 2HB GLU 79 3HB GLU 79 6.779 -9.283 -2.489 619 1HG GLU 79 2HG GLU 79 6.762 -8.063 -0.228 620 2HG GLU 79 3HG GLU 79 5.233 -8.882 0.079 621 H ALA 80 H ALA 80 3.935 -8.487 -4.248 622 HA ALA 80 HA ALA 80 5.543 -8.681 -6.482 623 1HB ALA 80 1HB ALA 80 3.555 -8.784 -7.778 624 2HB ALA 80 2HB ALA 80 3.123 -9.440 -6.199 625 3HB ALA 80 3HB ALA 80 2.663 -7.792 -6.624 626 H VAL 81 H VAL 81 3.994 -5.832 -5.148 627 HA VAL 81 HA VAL 81 4.214 -4.097 -7.336 628 HB VAL 81 HB VAL 81 4.484 -3.292 -4.435 629 1HG1 VAL 81 1HG1 VAL 81 2.956 -1.805 -6.540 630 2HG1 VAL 81 2HG1 VAL 81 3.790 -1.183 -5.118 631 3HG1 VAL 81 3HG1 VAL 81 4.713 -1.683 -6.535 632 1HG2 VAL 81 1HG2 VAL 81 2.468 -4.890 -5.380 633 2HG2 VAL 81 2HG2 VAL 81 2.273 -3.731 -4.068 634 3HG2 VAL 81 3HG2 VAL 81 1.812 -3.290 -5.711 635 H PHE 82 H PHE 82 6.412 -4.155 -4.483 636 HA PHE 82 HA PHE 82 8.437 -2.733 -6.026 637 1HB PHE 82 2HB PHE 82 8.977 -3.808 -3.291 638 2HB PHE 82 3HB PHE 82 9.483 -2.285 -4.020 639 HD1 PHE 82 HD1 PHE 82 7.744 -0.471 -4.406 640 HD2 PHE 82 HD2 PHE 82 6.989 -3.953 -2.006 641 HE1 PHE 82 HE1 PHE 82 5.817 0.675 -3.348 642 HE2 PHE 82 HE2 PHE 82 5.062 -2.805 -0.948 643 HZ PHE 82 HZ PHE 82 4.478 -0.493 -1.620 644 H GLU 83 H GLU 83 7.835 -5.979 -4.867 645 HA GLU 83 HA GLU 83 10.514 -6.923 -5.369 646 1HB GLU 83 2HB GLU 83 8.763 -7.857 -3.693 647 2HB GLU 83 3HB GLU 83 8.103 -8.699 -5.095 648 1HG GLU 83 2HG GLU 83 10.575 -9.440 -5.503 649 2HG GLU 83 3HG GLU 83 10.808 -9.005 -3.810 650 H LEU 84 H LEU 84 10.032 -5.748 -7.624 651 HA LEU 84 HA LEU 84 8.696 -7.377 -9.586 652 1HB LEU 84 2HB LEU 84 10.637 -5.088 -9.989 653 2HB LEU 84 3HB LEU 84 9.534 -5.752 -11.194 654 HG LEU 84 HG LEU 84 8.443 -4.749 -8.576 655 1HD1 LEU 84 1HD1 LEU 84 8.065 -2.546 -9.848 656 2HD1 LEU 84 2HD1 LEU 84 9.693 -2.843 -9.240 657 3HD1 LEU 84 3HD1 LEU 84 9.329 -3.097 -10.947 658 1HD2 LEU 84 1HD2 LEU 84 6.956 -5.976 -10.093 659 2HD2 LEU 84 2HD2 LEU 84 6.481 -4.279 -10.041 660 3HD2 LEU 84 3HD2 LEU 84 7.388 -4.900 -11.421 661 H GLU 85 H GLU 85 10.660 -8.803 -8.088 662 HA GLU 85 HA GLU 85 12.657 -9.981 -8.260 663 1HB GLU 85 2HB GLU 85 12.497 -11.367 -10.509 664 2HB GLU 85 3HB GLU 85 11.365 -11.643 -9.187 665 1HG GLU 85 2HG GLU 85 9.756 -10.089 -10.262 666 2HG GLU 85 3HG GLU 85 10.880 -9.874 -11.603 667 H HIS 86 H HIS 86 14.093 -8.155 -8.398 668 HA HIS 86 HA HIS 86 14.915 -6.916 -10.779 669 1HB HIS 86 2HB HIS 86 16.342 -7.413 -8.161 670 2HB HIS 86 3HB HIS 86 17.066 -6.489 -9.476 671 HD1 HIS 86 HD1 HIS 86 15.300 -5.897 -6.497 672 HD2 HIS 86 HD2 HIS 86 14.899 -4.400 -10.367 673 HE1 HIS 86 HE1 HIS 86 13.998 -3.733 -6.298 674 H HIS 87 H HIS 87 16.078 -7.618 -12.458 675 HA HIS 87 HA HIS 87 18.077 -9.711 -12.138 676 1HB HIS 87 2HB HIS 87 16.139 -11.092 -12.522 677 2HB HIS 87 3HB HIS 87 15.613 -10.071 -13.860 678 HD1 HIS 87 HD1 HIS 87 16.863 -10.302 -16.113 679 HD2 HIS 87 HD2 HIS 87 18.323 -12.831 -13.138 680 HE1 HIS 87 HE1 HIS 87 18.404 -11.949 -17.266 681 H HIS 88 H HIS 88 16.192 -8.080 -14.704 682 HA HIS 88 HA HIS 88 18.231 -7.940 -16.601 683 1HB HIS 88 2HB HIS 88 16.915 -6.231 -17.690 684 2HB HIS 88 3HB HIS 88 15.813 -7.426 -17.011 685 HD1 HIS 88 HD1 HIS 88 15.645 -6.562 -14.108 686 HD2 HIS 88 HD2 HIS 88 15.590 -3.836 -17.262 687 HE1 HIS 88 HE1 HIS 88 14.550 -4.459 -13.218 688 H HIS 89 H HIS 89 19.645 -6.255 -17.218 689 HA HIS 89 HA HIS 89 21.142 -5.091 -15.170 690 1HB HIS 89 2HB HIS 89 20.958 -4.086 -18.018 691 2HB HIS 89 3HB HIS 89 22.308 -3.880 -16.902 692 HD1 HIS 89 HD1 HIS 89 20.358 -6.742 -18.513 693 HD2 HIS 89 HD2 HIS 89 24.190 -5.899 -17.104 694 HE1 HIS 89 HE1 HIS 89 21.780 -8.768 -19.047 695 H HIS 90 H HIS 90 21.609 -2.630 -15.161 696 HA HIS 90 HA HIS 90 19.624 -1.257 -13.889 697 1HB HIS 90 2HB HIS 90 20.826 0.854 -14.810 698 2HB HIS 90 3HB HIS 90 21.742 -0.264 -13.800 699 HD1 HIS 90 HD1 HIS 90 20.902 -0.857 -17.446 700 HD2 HIS 90 HD2 HIS 90 24.226 0.005 -15.084 701 HE1 HIS 90 HE1 HIS 90 22.927 -1.085 -18.949 702 H HIS 91 H HIS 91 18.039 0.239 -14.429 703 HA HIS 91 HA HIS 91 16.354 -0.240 -16.527 704 1HB HIS 91 2HB HIS 91 15.723 1.179 -14.650 705 2HB HIS 91 3HB HIS 91 16.872 2.414 -15.158 706 HD1 HIS 91 HD1 HIS 91 14.890 4.113 -15.479 707 HD2 HIS 91 HD2 HIS 91 14.706 0.776 -17.971 708 HE1 HIS 91 HE1 HIS 91 13.179 4.647 -17.268 Start of MODEL 8 1 1H MET 1 1HT MET 1 12.840 3.076 -5.748 2 2H MET 1 2HT MET 1 12.634 1.508 -6.375 3 3H MET 1 3HT MET 1 13.551 1.750 -4.966 4 HA MET 1 HA MET 1 11.542 2.562 -3.822 5 1HB MET 1 2HB MET 1 10.197 1.554 -6.352 6 2HB MET 1 3HB MET 1 9.374 2.145 -4.908 7 1HG MET 1 2HG MET 1 9.377 4.095 -6.134 8 2HG MET 1 3HG MET 1 10.949 4.267 -5.355 9 1HE MET 1 1HE MET 1 9.913 3.524 -9.702 10 2HE MET 1 2HE MET 1 9.245 4.734 -8.608 11 3HE MET 1 3HE MET 1 8.951 3.023 -8.303 12 H LYS 2 H LYS 2 12.641 0.873 -2.664 13 HA LYS 2 HA LYS 2 11.316 -1.748 -2.958 14 1HB LYS 2 2HB LYS 2 14.272 -1.198 -2.703 15 2HB LYS 2 3HB LYS 2 13.569 -2.747 -2.242 16 1HG LYS 2 2HG LYS 2 12.850 -1.626 -4.920 17 2HG LYS 2 3HG LYS 2 14.456 -2.320 -4.721 18 1HD LYS 2 2HD LYS 2 12.160 -3.898 -3.656 19 2HD LYS 2 3HD LYS 2 12.334 -3.812 -5.408 20 1HE LYS 2 2HE LYS 2 13.548 -5.735 -4.140 21 2HE LYS 2 3HE LYS 2 14.442 -4.852 -5.376 22 1HZ LYS 2 1HZ LYS 2 15.728 -5.112 -3.339 23 2HZ LYS 2 1HZ LYS 2 14.527 -4.294 -2.457 24 3HZ LYS 2 3HZ LYS 2 15.412 -3.476 -3.655 25 H ILE 3 H ILE 3 11.433 -3.056 -0.993 26 HA ILE 3 HA ILE 3 10.933 -1.436 1.359 27 HB ILE 3 HB ILE 3 10.868 -4.431 0.888 28 1HG1 ILE 3 2HG1 ILE 3 8.502 -2.653 1.433 29 2HG1 ILE 3 3HG1 ILE 3 9.167 -2.734 -0.197 30 1HG2 ILE 3 1HG2 ILE 3 9.390 -4.134 3.088 31 2HG2 ILE 3 2HG2 ILE 3 11.134 -4.379 3.183 32 3HG2 ILE 3 3HG2 ILE 3 10.461 -2.755 3.333 33 1HD1 ILE 3 1HD1 ILE 3 8.538 -5.257 1.328 34 2HD1 ILE 3 2HD1 ILE 3 7.278 -4.404 0.438 35 3HD1 ILE 3 3HD1 ILE 3 8.691 -5.031 -0.414 36 H ILE 4 H ILE 4 12.639 -0.688 2.467 37 HA ILE 4 HA ILE 4 15.052 -2.371 2.686 38 HB ILE 4 HB ILE 4 14.967 0.488 3.571 39 1HG1 ILE 4 2HG1 ILE 4 13.861 0.486 1.352 40 2HG1 ILE 4 3HG1 ILE 4 15.457 1.231 1.273 41 1HG2 ILE 4 1HG2 ILE 4 17.293 0.430 2.838 42 2HG2 ILE 4 2HG2 ILE 4 16.980 -0.947 3.895 43 3HG2 ILE 4 3HG2 ILE 4 17.065 -1.177 2.148 44 1HD1 ILE 4 1HD1 ILE 4 14.837 -1.646 0.516 45 2HD1 ILE 4 2HD1 ILE 4 15.070 -0.322 -0.624 46 3HD1 ILE 4 3HD1 ILE 4 16.408 -0.856 0.389 47 H SER 5 H SER 5 12.466 -0.965 4.558 48 HA SER 5 HA SER 5 13.218 -2.487 6.883 49 1HB SER 5 2HB SER 5 13.116 0.426 7.501 50 2HB SER 5 3HB SER 5 13.975 -0.868 8.328 51 HG SER 5 HG SER 5 14.807 0.805 6.364 52 H ILE 6 H ILE 6 11.381 -3.088 7.827 53 HA ILE 6 HA ILE 6 8.921 -1.570 7.297 54 HB ILE 6 HB ILE 6 9.187 -4.255 8.668 55 1HG1 ILE 6 2HG1 ILE 6 8.670 -3.751 5.719 56 2HG1 ILE 6 3HG1 ILE 6 10.241 -4.227 6.367 57 1HG2 ILE 6 1HG2 ILE 6 6.976 -2.516 7.781 58 2HG2 ILE 6 2HG2 ILE 6 6.817 -4.196 7.278 59 3HG2 ILE 6 3HG2 ILE 6 6.985 -3.800 8.987 60 1HD1 ILE 6 1HD1 ILE 6 9.107 -6.235 5.626 61 2HD1 ILE 6 2HD1 ILE 6 9.122 -6.243 7.391 62 3HD1 ILE 6 3HD1 ILE 6 7.652 -5.797 6.522 63 H SER 7 H SER 7 7.333 -1.810 9.324 64 HA SER 7 HA SER 7 8.765 -1.284 11.825 65 1HB SER 7 2HB SER 7 8.288 0.909 11.911 66 2HB SER 7 3HB SER 7 7.805 0.803 10.223 67 HG SER 7 HG SER 7 6.174 1.651 11.650 68 H GLU 8 H GLU 8 7.942 -2.677 13.212 69 HA GLU 8 HA GLU 8 5.143 -3.521 12.962 70 1HB GLU 8 2HB GLU 8 6.315 -4.895 15.107 71 2HB GLU 8 3HB GLU 8 6.015 -5.521 13.489 72 1HG GLU 8 2HG GLU 8 8.232 -4.739 12.759 73 2HG GLU 8 3HG GLU 8 8.533 -4.066 14.360 74 H THR 9 H THR 9 3.625 -3.170 14.533 75 HA THR 9 HA THR 9 4.430 -1.798 16.992 76 HB THR 9 HB THR 9 2.126 -0.434 16.177 77 HG1 THR 9 HG1 THR 9 3.213 -1.372 14.038 78 1HG2 THR 9 1HG2 THR 9 3.916 1.424 15.812 79 2HG2 THR 9 2HG2 THR 9 3.741 0.717 17.416 80 3HG2 THR 9 3HG2 THR 9 5.057 0.201 16.365 81 HA PRO 10 HA PRO 10 1.157 -4.028 18.809 82 1HB PRO 10 2HB PRO 10 -0.077 -1.870 20.267 83 2HB PRO 10 3HB PRO 10 1.056 -3.090 20.867 84 1HG PRO 10 2HG PRO 10 1.582 -0.380 20.543 85 2HG PRO 10 3HG PRO 10 2.779 -1.659 20.785 86 1HD PRO 10 2HD PRO 10 2.059 -0.218 18.301 87 2HD PRO 10 3HD PRO 10 3.566 -1.055 18.726 88 H ASN 11 H ASN 11 0.414 -1.379 16.825 89 HA ASN 11 HA ASN 11 -2.461 -2.008 16.740 90 1HB ASN 11 2HB ASN 11 -2.398 0.094 15.195 91 2HB ASN 11 3HB ASN 11 -2.255 0.308 16.937 92 1HD2 ASN 11 2HD2 ASN 11 -0.303 0.115 13.936 93 2HD2 ASN 11 1HD2 ASN 11 1.015 0.987 14.557 94 H HIS 12 H HIS 12 -2.972 -3.533 15.305 95 HA HIS 12 HA HIS 12 -1.354 -3.830 12.868 96 1HB HIS 12 2HB HIS 12 -2.397 -6.018 12.652 97 2HB HIS 12 3HB HIS 12 -1.765 -5.830 14.288 98 HD1 HIS 12 HD1 HIS 12 -3.762 -4.667 15.967 99 HD2 HIS 12 HD2 HIS 12 -4.958 -6.965 12.704 100 HE1 HIS 12 HE1 HIS 12 -6.152 -5.373 16.428 101 H ASN 13 H ASN 13 -2.202 -1.952 11.819 102 HA ASN 13 HA ASN 13 -4.648 -2.520 10.342 103 1HB ASN 13 2HB ASN 13 -5.537 -1.344 12.259 104 2HB ASN 13 3HB ASN 13 -4.372 -0.038 12.050 105 1HD2 ASN 13 2HD2 ASN 13 -7.370 -1.418 10.849 106 2HD2 ASN 13 1HD2 ASN 13 -7.728 -0.171 9.756 107 H THR 14 H THR 14 -1.811 -0.523 10.897 108 HA THR 14 HA THR 14 -1.624 -0.077 8.019 109 HB THR 14 HB THR 14 -2.847 1.881 9.164 110 HG1 THR 14 HG1 THR 14 -0.633 2.979 8.007 111 1HG2 THR 14 1HG2 THR 14 -0.037 2.628 9.990 112 2HG2 THR 14 2HG2 THR 14 -1.542 3.454 10.388 113 3HG2 THR 14 3HG2 THR 14 -1.184 1.886 11.106 114 H MET 15 H MET 15 0.385 -0.401 7.330 115 HA MET 15 HA MET 15 2.559 -0.422 9.339 116 1HB MET 15 2HB MET 15 2.301 -1.880 6.699 117 2HB MET 15 3HB MET 15 3.739 -1.904 7.718 118 1HG MET 15 2HG MET 15 1.943 -2.588 9.579 119 2HG MET 15 3HG MET 15 1.084 -3.182 8.161 120 1HE MET 15 1HE MET 15 3.169 -4.016 6.149 121 2HE MET 15 2HE MET 15 1.803 -5.020 6.628 122 3HE MET 15 3HE MET 15 3.417 -5.720 6.553 123 H LYS 16 H LYS 16 4.611 0.394 8.740 124 HA LYS 16 HA LYS 16 4.473 2.535 6.703 125 1HB LYS 16 2HB LYS 16 5.912 2.254 9.312 126 2HB LYS 16 3HB LYS 16 6.630 3.256 8.050 127 1HG LYS 16 2HG LYS 16 4.700 4.669 7.942 128 2HG LYS 16 3HG LYS 16 3.750 3.558 8.928 129 1HD LYS 16 2HD LYS 16 4.339 5.024 10.591 130 2HD LYS 16 3HD LYS 16 5.788 4.021 10.638 131 1HE LYS 16 2HE LYS 16 6.750 5.624 8.871 132 2HE LYS 16 3HE LYS 16 5.415 6.695 9.291 133 1HZ LYS 16 1HZ LYS 16 7.386 5.597 11.216 134 2HZ LYS 16 1HZ LYS 16 6.135 6.690 11.572 135 3HZ LYS 16 3HZ LYS 16 7.425 7.165 10.574 136 H ILE 17 H ILE 17 5.499 2.122 4.850 137 HA ILE 17 HA ILE 17 7.600 0.071 4.794 138 HB ILE 17 HB ILE 17 6.278 1.507 2.479 139 1HG1 ILE 17 2HG1 ILE 17 5.700 -1.283 3.514 140 2HG1 ILE 17 3HG1 ILE 17 4.729 0.122 3.951 141 1HG2 ILE 17 1HG2 ILE 17 7.124 -0.746 1.399 142 2HG2 ILE 17 2HG2 ILE 17 8.246 0.596 1.621 143 3HG2 ILE 17 3HG2 ILE 17 8.243 -0.750 2.762 144 1HD1 ILE 17 1HD1 ILE 17 3.792 -1.148 2.001 145 2HD1 ILE 17 2HD1 ILE 17 4.177 0.528 1.613 146 3HD1 ILE 17 3HD1 ILE 17 5.257 -0.768 1.099 147 H THR 18 H THR 18 9.673 0.640 4.829 148 HA THR 18 HA THR 18 10.440 3.426 4.413 149 HB THR 18 HB THR 18 12.103 1.013 5.185 150 HG1 THR 18 HG1 THR 18 11.188 3.196 6.737 151 1HG2 THR 18 1HG2 THR 18 13.524 2.676 4.160 152 2HG2 THR 18 2HG2 THR 18 12.738 3.971 5.063 153 3HG2 THR 18 3HG2 THR 18 13.738 2.791 5.907 154 H LEU 19 H LEU 19 11.149 4.197 2.533 155 HA LEU 19 HA LEU 19 11.799 2.323 0.365 156 1HB LEU 19 2HB LEU 19 11.499 5.327 0.190 157 2HB LEU 19 3HB LEU 19 11.432 4.156 -1.129 158 HG LEU 19 HG LEU 19 9.443 4.366 1.155 159 1HD1 LEU 19 1HD1 LEU 19 7.883 5.098 -0.605 160 2HD1 LEU 19 2HD1 LEU 19 9.267 6.187 -0.510 161 3HD1 LEU 19 3HD1 LEU 19 9.174 4.990 -1.802 162 1HD2 LEU 19 1HD2 LEU 19 8.174 2.718 -0.342 163 2HD2 LEU 19 2HD2 LEU 19 9.692 2.486 -1.209 164 3HD2 LEU 19 3HD2 LEU 19 9.578 2.065 0.499 165 H SER 20 H SER 20 13.332 4.310 -1.100 166 HA SER 20 HA SER 20 15.944 3.648 -0.237 167 1HB SER 20 2HB SER 20 15.141 5.913 -2.073 168 2HB SER 20 3HB SER 20 16.708 5.112 -1.999 169 HG SER 20 HG SER 20 14.788 4.460 -3.554 170 H GLU 21 H GLU 21 13.789 5.752 1.129 171 HA GLU 21 HA GLU 21 13.927 7.452 2.655 172 1HB GLU 21 2HB GLU 21 16.554 6.044 2.973 173 2HB GLU 21 3HB GLU 21 16.276 7.555 3.838 174 1HG GLU 21 2HG GLU 21 14.201 6.615 4.802 175 2HG GLU 21 3HG GLU 21 14.496 5.101 3.952 176 H SER 22 H SER 22 13.655 9.171 1.242 177 HA SER 22 HA SER 22 15.993 10.371 -0.025 178 1HB SER 22 2HB SER 22 13.156 11.406 -0.064 179 2HB SER 22 3HB SER 22 14.457 11.775 -1.191 180 HG SER 22 HG SER 22 13.645 9.113 -0.794 181 H ARG 23 H ARG 23 15.483 13.025 0.052 182 HA ARG 23 HA ARG 23 16.431 13.764 2.652 183 1HB ARG 23 2HB ARG 23 15.948 15.112 0.054 184 2HB ARG 23 3HB ARG 23 15.901 16.140 1.484 185 1HG ARG 23 2HG ARG 23 18.186 16.040 0.586 186 2HG ARG 23 3HG ARG 23 18.115 15.275 2.174 187 1HD ARG 23 2HD ARG 23 18.264 13.106 1.278 188 2HD ARG 23 3HD ARG 23 17.742 13.628 -0.321 189 HE ARG 23 HE ARG 23 19.964 14.010 -0.807 190 1HH1 ARG 23 1HH2 ARG 23 20.083 16.096 1.508 191 2HH1 ARG 23 2HH2 ARG 23 21.476 15.526 2.366 192 1HH2 ARG 23 1HH1 ARG 23 21.511 12.439 0.788 193 2HH2 ARG 23 2HH1 ARG 23 22.281 13.453 1.962 194 H GLU 24 H GLU 24 14.317 12.708 3.563 195 HA GLU 24 HA GLU 24 12.150 12.923 4.410 196 1HB GLU 24 2HB GLU 24 13.242 15.599 5.293 197 2HB GLU 24 3HB GLU 24 12.116 14.547 6.150 198 1HG GLU 24 2HG GLU 24 13.927 12.822 6.311 199 2HG GLU 24 3HG GLU 24 15.040 13.976 5.581 200 H GLY 25 H GLY 25 11.762 13.427 1.834 201 1HA GLY 25 1HA GLY 25 9.842 15.648 1.864 202 2HA GLY 25 2HA GLY 25 11.085 15.655 0.617 203 H MET 26 H MET 26 11.020 14.124 -1.044 204 HA MET 26 HA MET 26 9.930 12.902 -2.662 205 1HB MET 26 2HB MET 26 10.392 11.259 -0.656 206 2HB MET 26 3HB MET 26 8.637 11.292 -0.491 207 1HG MET 26 2HG MET 26 8.771 9.585 -2.014 208 2HG MET 26 3HG MET 26 8.802 10.926 -3.156 209 1HE MET 26 1HE MET 26 10.061 7.724 -2.902 210 2HE MET 26 2HE MET 26 10.674 8.169 -1.310 211 3HE MET 26 3HE MET 26 11.802 7.713 -2.584 212 H THR 27 H THR 27 8.342 15.027 -0.891 213 HA THR 27 HA THR 27 6.302 16.056 -1.083 214 HB THR 27 HB THR 27 5.320 14.082 -3.105 215 HG1 THR 27 HG1 THR 27 7.138 14.343 -4.130 216 1HG2 THR 27 1HG2 THR 27 4.360 16.447 -2.163 217 2HG2 THR 27 2HG2 THR 27 5.299 17.014 -3.543 218 3HG2 THR 27 3HG2 THR 27 4.013 15.829 -3.778 219 H SER 28 H SER 28 3.751 14.900 -1.527 220 HA SER 28 HA SER 28 3.457 12.580 0.174 221 1HB SER 28 2HB SER 28 2.149 13.682 1.915 222 2HB SER 28 3HB SER 28 3.753 14.402 1.837 223 HG SER 28 HG SER 28 1.278 15.462 1.219 224 H ASP 29 H ASP 29 1.454 11.618 -0.044 225 HA ASP 29 HA ASP 29 -0.770 12.977 -1.295 226 1HB ASP 29 2HB ASP 29 0.916 11.032 -2.855 227 2HB ASP 29 3HB ASP 29 -0.808 11.180 -3.178 228 H THR 30 H THR 30 -2.677 11.661 -1.402 229 HA THR 30 HA THR 30 -2.522 9.130 0.109 230 HB THR 30 HB THR 30 -3.368 10.421 1.819 231 HG1 THR 30 HG1 THR 30 -5.028 9.084 1.639 232 1HG2 THR 30 1HG2 THR 30 -3.369 12.594 0.983 233 2HG2 THR 30 2HG2 THR 30 -4.397 12.175 -0.389 234 3HG2 THR 30 3HG2 THR 30 -5.093 12.310 1.228 235 H TYR 31 H TYR 31 -3.545 7.503 -0.865 236 HA TYR 31 HA TYR 31 -5.386 8.152 -3.083 237 1HB TYR 31 2HB TYR 31 -4.166 5.436 -2.669 238 2HB TYR 31 3HB TYR 31 -4.739 6.181 -4.160 239 HD1 TYR 31 HD1 TYR 31 -1.865 5.077 -2.795 240 HD2 TYR 31 HD2 TYR 31 -3.496 8.760 -4.289 241 HE1 TYR 31 HE1 TYR 31 0.426 5.898 -3.270 242 HE2 TYR 31 HE2 TYR 31 -1.207 9.581 -4.764 243 HH TYR 31 HH TYR 31 0.972 9.177 -4.565 244 H THR 32 H THR 32 -7.452 7.646 -2.933 245 HA THR 32 HA THR 32 -8.331 5.791 -0.794 246 HB THR 32 HB THR 32 -10.193 7.140 -0.361 247 HG1 THR 32 HG1 THR 32 -10.815 8.798 -1.870 248 1HG2 THR 32 1HG2 THR 32 -9.390 9.446 -0.111 249 2HG2 THR 32 2HG2 THR 32 -8.110 8.307 0.313 250 3HG2 THR 32 3HG2 THR 32 -8.082 9.125 -1.250 251 H LYS 33 H LYS 33 -7.727 6.012 -3.900 252 HA LYS 33 HA LYS 33 -9.597 3.961 -4.702 253 1HB LYS 33 2HB LYS 33 -10.863 6.021 -5.160 254 2HB LYS 33 3HB LYS 33 -9.510 6.627 -6.113 255 1HG LYS 33 2HG LYS 33 -9.813 5.007 -7.800 256 2HG LYS 33 3HG LYS 33 -10.785 3.971 -6.755 257 1HD LYS 33 2HD LYS 33 -11.763 6.742 -7.365 258 2HD LYS 33 3HD LYS 33 -11.951 5.485 -8.587 259 1HE LYS 33 2HE LYS 33 -12.762 4.818 -5.790 260 2HE LYS 33 3HE LYS 33 -13.810 5.899 -6.707 261 1HZ LYS 33 1HZ LYS 33 -12.930 3.177 -7.498 262 2HZ LYS 33 1HZ LYS 33 -13.795 4.233 -8.509 263 3HZ LYS 33 3HZ LYS 33 -14.500 3.658 -7.076 264 H VAL 34 H VAL 34 -8.292 5.944 -7.049 265 HA VAL 34 HA VAL 34 -5.676 4.814 -7.295 266 HB VAL 34 HB VAL 34 -7.842 3.850 -9.189 267 1HG1 VAL 34 1HG1 VAL 34 -4.830 3.893 -9.428 268 2HG1 VAL 34 2HG1 VAL 34 -5.815 2.718 -10.299 269 3HG1 VAL 34 3HG1 VAL 34 -6.027 4.443 -10.601 270 1HG2 VAL 34 1HG2 VAL 34 -5.966 2.530 -7.224 271 2HG2 VAL 34 2HG2 VAL 34 -7.708 2.307 -7.405 272 3HG2 VAL 34 3HG2 VAL 34 -6.599 1.632 -8.601 273 H ASP 35 H ASP 35 -4.926 6.884 -7.568 274 HA ASP 35 HA ASP 35 -5.209 8.062 -10.183 275 1HB ASP 35 2HB ASP 35 -7.185 8.846 -8.561 276 2HB ASP 35 3HB ASP 35 -5.945 9.970 -8.012 277 H ASP 36 H ASP 36 -4.432 10.732 -9.069 278 HA ASP 36 HA ASP 36 -2.523 11.898 -8.563 279 1HB ASP 36 2HB ASP 36 -2.805 10.546 -6.414 280 2HB ASP 36 3HB ASP 36 -1.592 9.448 -7.066 281 H SER 37 H SER 37 -2.624 9.341 -10.544 282 HA SER 37 HA SER 37 -1.290 8.572 -12.229 283 1HB SER 37 2HB SER 37 0.228 10.014 -13.189 284 2HB SER 37 3HB SER 37 -0.692 11.155 -12.215 285 HG SER 37 HG SER 37 1.117 11.556 -11.232 286 H GLN 38 H GLN 38 -0.906 7.947 -9.243 287 HA GLN 38 HA GLN 38 1.755 7.297 -8.696 288 1HB GLN 38 2HB GLN 38 0.913 5.941 -6.953 289 2HB GLN 38 3HB GLN 38 -0.318 7.179 -7.166 290 1HG GLN 38 2HG GLN 38 -1.249 5.354 -8.921 291 2HG GLN 38 3HG GLN 38 -0.427 4.271 -7.801 292 1HE2 GLN 38 2HE2 GLN 38 -2.947 3.704 -7.554 293 2HE2 GLN 38 1HE2 GLN 38 -3.744 4.535 -6.309 294 HA PRO 39 HA PRO 39 2.674 3.798 -11.165 295 1HB PRO 39 2HB PRO 39 3.351 1.892 -9.111 296 2HB PRO 39 3HB PRO 39 4.440 2.877 -10.095 297 1HG PRO 39 2HG PRO 39 3.999 3.166 -7.375 298 2HG PRO 39 3HG PRO 39 4.757 4.357 -8.439 299 1HD PRO 39 2HD PRO 39 2.021 4.334 -7.300 300 2HD PRO 39 3HD PRO 39 3.012 5.704 -7.839 301 H ALA 40 H ALA 40 1.322 2.503 -12.260 302 HA ALA 40 HA ALA 40 -1.172 1.673 -11.481 303 1HB ALA 40 1HB ALA 40 0.472 -0.128 -13.230 304 2HB ALA 40 2HB ALA 40 -1.228 0.313 -13.375 305 3HB ALA 40 3HB ALA 40 0.025 1.482 -13.791 306 H PHE 41 H PHE 41 1.903 0.060 -10.974 307 HA PHE 41 HA PHE 41 1.057 -2.419 -10.046 308 1HB PHE 41 2HB PHE 41 3.366 -0.909 -8.827 309 2HB PHE 41 3HB PHE 41 3.201 -2.647 -9.067 310 HD1 PHE 41 HD1 PHE 41 2.691 -3.302 -11.655 311 HD2 PHE 41 HD2 PHE 41 4.751 0.222 -10.318 312 HE1 PHE 41 HE1 PHE 41 3.787 -3.099 -13.872 313 HE2 PHE 41 HE2 PHE 41 5.846 0.423 -12.533 314 HZ PHE 41 HZ PHE 41 5.364 -1.237 -14.311 315 H ILE 42 H ILE 42 1.126 0.710 -8.431 316 HA ILE 42 HA ILE 42 0.526 -0.359 -5.816 317 HB ILE 42 HB ILE 42 0.734 2.401 -6.994 318 1HG1 ILE 42 2HG1 ILE 42 2.701 0.968 -6.131 319 2HG1 ILE 42 3HG1 ILE 42 2.577 2.615 -5.525 320 1HG2 ILE 42 1HG2 ILE 42 0.235 3.233 -4.631 321 2HG2 ILE 42 2HG2 ILE 42 -1.157 2.691 -5.569 322 3HG2 ILE 42 3HG2 ILE 42 -0.470 1.646 -4.324 323 1HD1 ILE 42 1HD1 ILE 42 2.888 0.476 -3.900 324 2HD1 ILE 42 2HD1 ILE 42 2.052 1.947 -3.404 325 3HD1 ILE 42 3HD1 ILE 42 1.128 0.551 -3.959 326 H ASN 43 H ASN 43 -1.287 0.500 -8.626 327 HA ASN 43 HA ASN 43 -3.752 1.182 -7.420 328 1HB ASN 43 2HB ASN 43 -3.237 -0.219 -10.058 329 2HB ASN 43 3HB ASN 43 -4.751 0.526 -9.573 330 1HD2 ASN 43 2HD2 ASN 43 -2.264 2.431 -8.313 331 2HD2 ASN 43 1HD2 ASN 43 -2.172 3.574 -9.564 332 H ASP 44 H ASP 44 -2.184 -1.847 -8.262 333 HA ASP 44 HA ASP 44 -4.305 -3.618 -7.791 334 1HB ASP 44 2HB ASP 44 -1.976 -4.108 -8.763 335 2HB ASP 44 3HB ASP 44 -1.433 -4.213 -7.091 336 H ILE 45 H ILE 45 -1.762 -2.452 -5.586 337 HA ILE 45 HA ILE 45 -2.449 -3.761 -3.260 338 HB ILE 45 HB ILE 45 -1.499 -0.898 -3.583 339 1HG1 ILE 45 2HG1 ILE 45 -0.095 -3.568 -3.315 340 2HG1 ILE 45 3HG1 ILE 45 0.049 -2.401 -4.628 341 1HG2 ILE 45 1HG2 ILE 45 -2.475 -1.521 -1.308 342 2HG2 ILE 45 2HG2 ILE 45 -1.169 -2.697 -1.172 343 3HG2 ILE 45 3HG2 ILE 45 -0.800 -0.977 -1.297 344 1HD1 ILE 45 1HD1 ILE 45 1.843 -1.566 -3.546 345 2HD1 ILE 45 2HD1 ILE 45 0.728 -0.946 -2.330 346 3HD1 ILE 45 3HD1 ILE 45 1.496 -2.519 -2.105 347 H LEU 46 H LEU 46 -3.705 -0.612 -4.371 348 HA LEU 46 HA LEU 46 -5.554 -0.281 -2.249 349 1HB LEU 46 2HB LEU 46 -5.636 0.880 -5.047 350 2HB LEU 46 3HB LEU 46 -6.551 1.466 -3.657 351 HG LEU 46 HG LEU 46 -3.577 1.202 -3.394 352 1HD1 LEU 46 1HD1 LEU 46 -3.673 2.385 -5.468 353 2HD1 LEU 46 2HD1 LEU 46 -5.032 3.367 -4.925 354 3HD1 LEU 46 3HD1 LEU 46 -3.435 3.609 -4.222 355 1HD2 LEU 46 1HD2 LEU 46 -3.929 3.182 -1.941 356 2HD2 LEU 46 2HD2 LEU 46 -5.639 3.176 -2.359 357 3HD2 LEU 46 3HD2 LEU 46 -4.950 1.833 -1.451 358 H LYS 47 H LYS 47 -5.830 -1.760 -5.447 359 HA LYS 47 HA LYS 47 -8.671 -2.270 -5.124 360 1HB LYS 47 2HB LYS 47 -6.642 -2.957 -7.251 361 2HB LYS 47 3HB LYS 47 -8.295 -3.568 -7.299 362 1HG LYS 47 2HG LYS 47 -9.210 -1.355 -7.413 363 2HG LYS 47 3HG LYS 47 -7.657 -0.620 -7.019 364 1HD LYS 47 2HD LYS 47 -6.737 -1.142 -9.144 365 2HD LYS 47 3HD LYS 47 -8.003 -2.322 -9.492 366 1HE LYS 47 2HE LYS 47 -8.700 0.578 -9.049 367 2HE LYS 47 3HE LYS 47 -8.149 0.021 -10.628 368 1HZ LYS 47 1HZ LYS 47 -10.349 -1.306 -9.163 369 2HZ LYS 47 1HZ LYS 47 -9.940 -1.459 -10.804 370 3HZ LYS 47 3HZ LYS 47 -10.621 -0.013 -10.228 371 H VAL 48 H VAL 48 -5.822 -3.720 -4.067 372 HA VAL 48 HA VAL 48 -6.680 -6.472 -4.228 373 HB VAL 48 HB VAL 48 -4.332 -5.013 -3.075 374 1HG1 VAL 48 1HG1 VAL 48 -4.824 -6.446 -1.213 375 2HG1 VAL 48 2HG1 VAL 48 -5.226 -7.796 -2.273 376 3HG1 VAL 48 3HG1 VAL 48 -3.555 -7.248 -2.132 377 1HG2 VAL 48 1HG2 VAL 48 -4.707 -6.164 -5.447 378 2HG2 VAL 48 2HG2 VAL 48 -3.143 -6.243 -4.634 379 3HG2 VAL 48 3HG2 VAL 48 -4.250 -7.614 -4.554 380 H GLU 49 H GLU 49 -8.056 -7.436 -2.906 381 HA GLU 49 HA GLU 49 -9.523 -6.215 -0.916 382 1HB GLU 49 2HB GLU 49 -8.848 -9.104 -1.421 383 2HB GLU 49 3HB GLU 49 -9.859 -8.634 -0.056 384 1HG GLU 49 2HG GLU 49 -11.335 -9.123 -1.894 385 2HG GLU 49 3HG GLU 49 -11.323 -7.374 -1.685 386 H GLY 50 H GLY 50 -9.252 -5.740 1.184 387 1HA GLY 50 1HA GLY 50 -8.314 -6.412 3.372 388 2HA GLY 50 2HA GLY 50 -6.794 -6.705 2.534 389 H VAL 51 H VAL 51 -6.656 -4.472 0.900 390 HA VAL 51 HA VAL 51 -5.822 -2.460 2.802 391 HB VAL 51 HB VAL 51 -5.773 -2.532 -0.227 392 1HG1 VAL 51 1HG1 VAL 51 -4.619 -0.550 1.755 393 2HG1 VAL 51 2HG1 VAL 51 -4.132 -0.639 0.064 394 3HG1 VAL 51 3HG1 VAL 51 -5.793 -0.220 0.481 395 1HG2 VAL 51 1HG2 VAL 51 -4.328 -4.129 1.274 396 2HG2 VAL 51 2HG2 VAL 51 -3.548 -3.249 -0.038 397 3HG2 VAL 51 3HG2 VAL 51 -3.400 -2.672 1.623 398 H LYS 52 H LYS 52 -6.767 -0.517 3.212 399 HA LYS 52 HA LYS 52 -9.433 -0.064 2.026 400 1HB LYS 52 2HB LYS 52 -9.507 -0.275 4.436 401 2HB LYS 52 3HB LYS 52 -8.216 0.908 4.622 402 1HG LYS 52 2HG LYS 52 -9.593 2.701 3.935 403 2HG LYS 52 3HG LYS 52 -10.769 1.624 3.183 404 1HD LYS 52 2HD LYS 52 -11.618 2.538 5.323 405 2HD LYS 52 3HD LYS 52 -11.446 0.785 5.391 406 1HE LYS 52 2HE LYS 52 -9.088 2.398 6.235 407 2HE LYS 52 3HE LYS 52 -10.481 2.390 7.317 408 1HZ LYS 52 1HZ LYS 52 -8.576 0.353 6.851 409 2HZ LYS 52 1HZ LYS 52 -10.135 -0.216 6.493 410 3HZ LYS 52 3HZ LYS 52 -9.794 0.427 8.028 411 H SER 53 H SER 53 -6.277 1.388 2.620 412 HA SER 53 HA SER 53 -6.468 3.146 0.417 413 1HB SER 53 2HB SER 53 -6.328 5.271 2.024 414 2HB SER 53 3HB SER 53 -7.865 4.676 1.404 415 HG SER 53 HG SER 53 -7.015 4.849 3.933 416 H ILE 54 H ILE 54 -4.705 5.009 0.730 417 HA ILE 54 HA ILE 54 -2.434 3.975 2.291 418 HB ILE 54 HB ILE 54 -2.420 4.502 -0.688 419 1HG1 ILE 54 2HG1 ILE 54 -1.651 2.068 0.955 420 2HG1 ILE 54 3HG1 ILE 54 -3.173 2.249 0.085 421 1HG2 ILE 54 1HG2 ILE 54 -0.125 4.062 1.245 422 2HG2 ILE 54 2HG2 ILE 54 0.030 3.977 -0.508 423 3HG2 ILE 54 3HG2 ILE 54 -0.415 5.498 0.265 424 1HD1 ILE 54 1HD1 ILE 54 -2.049 1.231 -1.615 425 2HD1 ILE 54 2HD1 ILE 54 -1.382 2.841 -1.889 426 3HD1 ILE 54 3HD1 ILE 54 -0.470 1.656 -0.952 427 H PHE 55 H PHE 55 -0.793 5.515 2.707 428 HA PHE 55 HA PHE 55 -1.378 8.305 1.984 429 1HB PHE 55 2HB PHE 55 -2.432 8.155 4.112 430 2HB PHE 55 3HB PHE 55 -1.107 7.210 4.785 431 HD1 PHE 55 HD1 PHE 55 0.156 8.398 6.321 432 HD2 PHE 55 HD2 PHE 55 -1.368 10.440 2.865 433 HE1 PHE 55 HE1 PHE 55 1.276 10.482 7.061 434 HE2 PHE 55 HE2 PHE 55 -0.247 12.527 3.602 435 HZ PHE 55 HZ PHE 55 1.077 12.547 5.703 436 H HIS 56 H HIS 56 0.402 8.818 0.874 437 HA HIS 56 HA HIS 56 3.034 7.882 1.785 438 1HB HIS 56 2HB HIS 56 2.593 7.567 -0.572 439 2HB HIS 56 3HB HIS 56 2.124 9.255 -0.758 440 HD1 HIS 56 HD1 HIS 56 4.001 9.965 -2.331 441 HD2 HIS 56 HD2 HIS 56 5.418 8.181 1.159 442 HE1 HIS 56 HE1 HIS 56 6.506 10.326 -2.309 443 H VAL 57 H VAL 57 4.646 9.269 2.452 444 HA VAL 57 HA VAL 57 4.374 12.132 2.283 445 HB VAL 57 HB VAL 57 2.824 11.584 4.146 446 1HG1 VAL 57 1HG1 VAL 57 3.437 10.344 5.981 447 2HG1 VAL 57 2HG1 VAL 57 4.522 9.609 4.804 448 3HG1 VAL 57 3HG1 VAL 57 5.122 10.855 5.897 449 1HG2 VAL 57 1HG2 VAL 57 5.298 12.914 5.260 450 2HG2 VAL 57 2HG2 VAL 57 4.309 13.690 4.023 451 3HG2 VAL 57 3HG2 VAL 57 3.608 13.292 5.592 452 H MET 58 H MET 58 6.177 13.243 3.392 453 HA MET 58 HA MET 58 8.477 13.499 3.141 454 1HB MET 58 2HB MET 58 9.599 12.559 5.199 455 2HB MET 58 3HB MET 58 8.195 13.583 5.477 456 1HG MET 58 2HG MET 58 7.239 10.915 5.210 457 2HG MET 58 3HG MET 58 8.616 10.870 6.306 458 1HE MET 58 1HE MET 58 7.694 12.674 9.377 459 2HE MET 58 2HE MET 58 8.965 12.727 8.158 460 3HE MET 58 3HE MET 58 8.357 11.172 8.720 461 H ASP 59 H ASP 59 8.903 10.252 4.506 462 HA ASP 59 HA ASP 59 9.907 9.318 1.913 463 1HB ASP 59 2HB ASP 59 12.091 8.815 2.686 464 2HB ASP 59 3HB ASP 59 11.769 10.473 3.178 465 H PHE 60 H PHE 60 7.610 8.444 3.213 466 HA PHE 60 HA PHE 60 8.146 5.633 3.338 467 1HB PHE 60 2HB PHE 60 7.584 5.150 5.589 468 2HB PHE 60 3HB PHE 60 8.755 6.460 5.674 469 HD1 PHE 60 HD1 PHE 60 5.090 5.742 5.702 470 HD2 PHE 60 HD2 PHE 60 8.212 8.502 6.732 471 HE1 PHE 60 HE1 PHE 60 3.460 7.104 6.977 472 HE2 PHE 60 HE2 PHE 60 6.582 9.864 8.008 473 HZ PHE 60 HZ PHE 60 4.207 9.168 8.131 474 H ILE 61 H ILE 61 6.256 4.364 3.248 475 HA ILE 61 HA ILE 61 3.806 5.906 2.624 476 HB ILE 61 HB ILE 61 4.716 3.226 1.540 477 1HG1 ILE 61 2HG1 ILE 61 4.430 5.938 0.193 478 2HG1 ILE 61 3HG1 ILE 61 5.963 5.207 0.666 479 1HG2 ILE 61 1HG2 ILE 61 2.725 3.643 -0.016 480 2HG2 ILE 61 2HG2 ILE 61 2.323 3.208 1.643 481 3HG2 ILE 61 3HG2 ILE 61 2.219 4.891 1.120 482 1HD1 ILE 61 1HD1 ILE 61 5.556 4.764 -1.700 483 2HD1 ILE 61 2HD1 ILE 61 5.450 3.253 -0.794 484 3HD1 ILE 61 3HD1 ILE 61 3.979 4.070 -1.326 485 H SER 62 H SER 62 1.975 5.438 3.678 486 HA SER 62 HA SER 62 2.064 3.269 5.676 487 1HB SER 62 2HB SER 62 1.720 5.655 6.443 488 2HB SER 62 3HB SER 62 0.174 5.625 5.603 489 HG SER 62 HG SER 62 1.007 3.791 7.611 490 H VAL 63 H VAL 63 1.087 1.476 4.979 491 HA VAL 63 HA VAL 63 -1.241 1.700 3.186 492 HB VAL 63 HB VAL 63 0.253 -0.809 3.985 493 1HG1 VAL 63 1HG1 VAL 63 -2.123 -0.862 2.963 494 2HG1 VAL 63 2HG1 VAL 63 -1.355 -0.284 1.482 495 3HG1 VAL 63 3HG1 VAL 63 -0.879 -1.833 2.175 496 1HG2 VAL 63 1HG2 VAL 63 1.121 -0.401 1.498 497 2HG2 VAL 63 2HG2 VAL 63 0.831 1.287 1.921 498 3HG2 VAL 63 3HG2 VAL 63 1.954 0.320 2.877 499 H ASP 64 H ASP 64 -3.064 1.987 4.343 500 HA ASP 64 HA ASP 64 -3.402 0.537 6.866 501 1HB ASP 64 2HB ASP 64 -5.305 1.998 7.256 502 2HB ASP 64 3HB ASP 64 -3.903 2.958 6.807 503 H LYS 65 H LYS 65 -4.895 -1.020 7.205 504 HA LYS 65 HA LYS 65 -6.480 -1.885 4.854 505 1HB LYS 65 2HB LYS 65 -6.366 -4.171 6.049 506 2HB LYS 65 3HB LYS 65 -4.911 -3.602 5.233 507 1HG LYS 65 2HG LYS 65 -3.833 -3.059 7.234 508 2HG LYS 65 3HG LYS 65 -5.348 -2.925 8.130 509 1HD LYS 65 2HD LYS 65 -5.669 -5.386 7.879 510 2HD LYS 65 3HD LYS 65 -4.088 -5.486 7.102 511 1HE LYS 65 2HE LYS 65 -4.763 -4.905 9.966 512 2HE LYS 65 3HE LYS 65 -3.520 -5.964 9.304 513 1HZ LYS 65 1HZ LYS 65 -2.674 -3.867 10.306 514 2HZ LYS 65 1HZ LYS 65 -3.455 -3.009 9.067 515 3HZ LYS 65 3HZ LYS 65 -2.212 -4.097 8.694 516 H GLU 66 H GLU 66 -8.168 -3.652 5.963 517 HA GLU 66 HA GLU 66 -10.170 -2.042 7.123 518 1HB GLU 66 2HB GLU 66 -10.003 -5.055 7.293 519 2HB GLU 66 3HB GLU 66 -11.455 -4.056 7.350 520 1HG GLU 66 2HG GLU 66 -10.766 -3.233 5.008 521 2HG GLU 66 3HG GLU 66 -9.649 -4.595 4.991 522 H ASN 67 H ASN 67 -11.085 -3.948 9.154 523 HA ASN 67 HA ASN 67 -9.964 -2.716 11.438 524 1HB ASN 67 2HB ASN 67 -11.221 -4.631 12.634 525 2HB ASN 67 3HB ASN 67 -12.156 -3.456 11.715 526 1HD2 ASN 67 2HD2 ASN 67 -13.887 -4.981 11.269 527 2HD2 ASN 67 1HD2 ASN 67 -13.674 -6.284 10.202 528 H ASP 68 H ASP 68 -9.491 -5.956 10.030 529 HA ASP 68 HA ASP 68 -6.938 -6.136 11.471 530 1HB ASP 68 2HB ASP 68 -8.220 -7.354 12.993 531 2HB ASP 68 3HB ASP 68 -9.269 -8.006 11.740 532 H ALA 69 H ALA 69 -9.106 -7.924 9.254 533 HA ALA 69 HA ALA 69 -8.661 -9.142 7.351 534 1HB ALA 69 1HB ALA 69 -7.527 -7.963 5.676 535 2HB ALA 69 2HB ALA 69 -8.063 -6.681 6.761 536 3HB ALA 69 3HB ALA 69 -6.391 -7.242 6.816 537 H ASN 70 H ASN 70 -6.033 -9.334 6.046 538 HA ASN 70 HA ASN 70 -4.427 -10.801 8.026 539 1HB ASN 70 2HB ASN 70 -5.448 -11.959 5.421 540 2HB ASN 70 3HB ASN 70 -4.183 -12.692 6.406 541 1HD2 ASN 70 2HD2 ASN 70 -4.926 -12.946 8.866 542 2HD2 ASN 70 1HD2 ASN 70 -6.507 -13.522 9.082 543 H TRP 71 H TRP 71 -2.310 -10.404 7.792 544 HA TRP 71 HA TRP 71 -1.426 -8.743 5.573 545 1HB TRP 71 2HB TRP 71 -0.271 -9.610 8.193 546 2HB TRP 71 3HB TRP 71 0.822 -9.060 6.925 547 HD1 TRP 71 HD1 TRP 71 -1.044 -7.756 9.713 548 HE1 TRP 71 HE1 TRP 71 -1.457 -5.226 9.498 549 HE3 TRP 71 HE3 TRP 71 0.109 -7.093 4.782 550 HZ2 TRP 71 HZ2 TRP 71 -1.312 -3.180 7.493 551 HZ3 TRP 71 HZ3 TRP 71 -0.037 -4.845 3.748 552 HH2 TRP 71 HH2 TRP 71 -0.746 -2.889 5.098 553 H GLU 72 H GLU 72 -0.713 -11.945 6.914 554 HA GLU 72 HA GLU 72 1.348 -12.697 5.199 555 1HB GLU 72 2HB GLU 72 -0.779 -14.622 6.129 556 2HB GLU 72 3HB GLU 72 0.933 -14.930 5.856 557 1HG GLU 72 2HG GLU 72 0.941 -14.729 8.160 558 2HG GLU 72 3HG GLU 72 1.226 -13.049 7.713 559 H THR 73 H THR 73 -2.025 -12.305 4.531 560 HA THR 73 HA THR 73 -1.916 -13.880 2.064 561 HB THR 73 HB THR 73 -4.103 -12.417 3.539 562 HG1 THR 73 HG1 THR 73 -4.959 -14.524 3.533 563 1HG2 THR 73 1HG2 THR 73 -4.071 -13.435 0.699 564 2HG2 THR 73 2HG2 THR 73 -5.566 -13.390 1.633 565 3HG2 THR 73 3HG2 THR 73 -4.682 -11.898 1.313 566 H VAL 74 H VAL 74 -2.398 -10.539 3.102 567 HA VAL 74 HA VAL 74 -2.485 -9.513 0.409 568 HB VAL 74 HB VAL 74 -2.968 -8.549 3.121 569 1HG1 VAL 74 1HG1 VAL 74 -1.596 -6.703 1.150 570 2HG1 VAL 74 2HG1 VAL 74 -2.445 -6.172 2.602 571 3HG1 VAL 74 3HG1 VAL 74 -1.002 -7.170 2.745 572 1HG2 VAL 74 1HG2 VAL 74 -3.855 -7.447 0.446 573 2HG2 VAL 74 2HG2 VAL 74 -4.606 -8.846 1.213 574 3HG2 VAL 74 3HG2 VAL 74 -4.665 -7.271 2.002 575 H LEU 75 H LEU 75 -0.102 -9.632 3.026 576 HA LEU 75 HA LEU 75 1.824 -7.886 2.129 577 1HB LEU 75 2HB LEU 75 2.084 -8.993 4.248 578 2HB LEU 75 3HB LEU 75 2.192 -10.572 3.477 579 HG LEU 75 HG LEU 75 4.144 -8.594 2.474 580 1HD1 LEU 75 1HD1 LEU 75 3.940 -9.297 5.371 581 2HD1 LEU 75 2HD1 LEU 75 5.548 -9.267 4.646 582 3HD1 LEU 75 3HD1 LEU 75 4.539 -7.822 4.612 583 1HD2 LEU 75 1HD2 LEU 75 5.654 -10.608 2.920 584 2HD2 LEU 75 2HD2 LEU 75 4.201 -11.470 3.428 585 3HD2 LEU 75 3HD2 LEU 75 4.345 -10.880 1.773 586 HA PRO 76 HA PRO 76 3.875 -11.576 -0.475 587 1HB PRO 76 2HB PRO 76 1.587 -12.956 -1.552 588 2HB PRO 76 3HB PRO 76 2.908 -13.615 -0.572 589 1HG PRO 76 2HG PRO 76 0.209 -12.832 0.220 590 2HG PRO 76 3HG PRO 76 1.367 -13.882 1.045 591 1HD PRO 76 2HD PRO 76 0.702 -11.392 1.952 592 2HD PRO 76 3HD PRO 76 2.286 -12.141 2.252 593 H LYS 77 H LYS 77 0.767 -10.019 -1.080 594 HA LYS 77 HA LYS 77 1.252 -9.701 -3.921 595 1HB LYS 77 2HB LYS 77 -0.824 -8.297 -2.228 596 2HB LYS 77 3HB LYS 77 -0.856 -8.571 -3.970 597 1HG LYS 77 2HG LYS 77 -0.984 -11.002 -3.598 598 2HG LYS 77 3HG LYS 77 -0.927 -10.745 -1.854 599 1HD LYS 77 2HD LYS 77 -3.021 -9.444 -1.972 600 2HD LYS 77 3HD LYS 77 -3.084 -9.704 -3.715 601 1HE LYS 77 2HE LYS 77 -2.747 -12.269 -2.646 602 2HE LYS 77 3HE LYS 77 -3.890 -11.487 -1.557 603 1HZ LYS 77 1HZ LYS 77 -5.460 -11.748 -3.071 604 2HZ LYS 77 1HZ LYS 77 -4.356 -12.492 -4.127 605 3HZ LYS 77 3HZ LYS 77 -4.582 -10.810 -4.178 606 H VAL 78 H VAL 78 1.118 -7.558 -1.069 607 HA VAL 78 HA VAL 78 1.706 -5.128 -2.255 608 HB VAL 78 HB VAL 78 2.475 -6.259 0.437 609 1HG1 VAL 78 1HG1 VAL 78 2.839 -3.720 0.940 610 2HG1 VAL 78 2HG1 VAL 78 4.144 -4.626 0.176 611 3HG1 VAL 78 3HG1 VAL 78 3.105 -3.582 -0.796 612 1HG2 VAL 78 1HG2 VAL 78 0.653 -4.956 1.240 613 2HG2 VAL 78 2HG2 VAL 78 0.564 -4.021 -0.254 614 3HG2 VAL 78 3HG2 VAL 78 0.056 -5.708 -0.239 615 H GLU 79 H GLU 79 4.058 -7.466 -0.924 616 HA GLU 79 HA GLU 79 6.399 -6.124 -1.616 617 1HB GLU 79 2HB GLU 79 6.144 -8.237 -0.199 618 2HB GLU 79 3HB GLU 79 6.112 -9.128 -1.722 619 1HG GLU 79 2HG GLU 79 8.290 -7.986 -2.327 620 2HG GLU 79 3HG GLU 79 8.343 -7.363 -0.680 621 H ALA 80 H ALA 80 4.415 -8.346 -3.530 622 HA ALA 80 HA ALA 80 6.053 -8.742 -5.727 623 1HB ALA 80 1HB ALA 80 4.131 -9.394 -6.911 624 2HB ALA 80 2HB ALA 80 3.713 -9.704 -5.225 625 3HB ALA 80 3HB ALA 80 3.096 -8.266 -6.036 626 H VAL 81 H VAL 81 4.146 -5.917 -4.868 627 HA VAL 81 HA VAL 81 4.188 -4.569 -7.332 628 HB VAL 81 HB VAL 81 4.362 -3.267 -4.601 629 1HG1 VAL 81 1HG1 VAL 81 4.420 -2.092 -7.062 630 2HG1 VAL 81 2HG1 VAL 81 2.681 -2.168 -6.786 631 3HG1 VAL 81 3HG1 VAL 81 3.720 -1.328 -5.636 632 1HG2 VAL 81 1HG2 VAL 81 1.723 -3.708 -5.902 633 2HG2 VAL 81 2HG2 VAL 81 2.497 -5.145 -5.237 634 3HG2 VAL 81 3HG2 VAL 81 2.160 -3.765 -4.195 635 H PHE 82 H PHE 82 6.423 -4.245 -4.552 636 HA PHE 82 HA PHE 82 8.308 -2.735 -6.178 637 1HB PHE 82 2HB PHE 82 9.015 -3.758 -3.460 638 2HB PHE 82 3HB PHE 82 9.393 -2.211 -4.212 639 HD1 PHE 82 HD1 PHE 82 7.440 -0.570 -4.624 640 HD2 PHE 82 HD2 PHE 82 7.181 -3.963 -2.004 641 HE1 PHE 82 HE1 PHE 82 5.488 0.455 -3.490 642 HE2 PHE 82 HE2 PHE 82 5.232 -2.937 -0.870 643 HZ PHE 82 HZ PHE 82 4.385 -0.729 -1.613 644 H GLU 83 H GLU 83 7.801 -5.329 -7.167 645 HA GLU 83 HA GLU 83 10.499 -6.338 -7.298 646 1HB GLU 83 2HB GLU 83 8.569 -7.596 -5.511 647 2HB GLU 83 3HB GLU 83 9.144 -8.712 -6.746 648 1HG GLU 83 2HG GLU 83 11.098 -6.985 -5.240 649 2HG GLU 83 3HG GLU 83 10.510 -8.489 -4.537 650 H LEU 84 H LEU 84 7.422 -8.027 -7.753 651 HA LEU 84 HA LEU 84 6.307 -8.744 -9.624 652 1HB LEU 84 2HB LEU 84 8.066 -6.873 -11.223 653 2HB LEU 84 3HB LEU 84 6.511 -7.547 -11.698 654 HG LEU 84 HG LEU 84 6.783 -5.843 -9.222 655 1HD1 LEU 84 1HD1 LEU 84 6.266 -4.939 -12.067 656 2HD1 LEU 84 2HD1 LEU 84 6.012 -3.937 -10.637 657 3HD1 LEU 84 3HD1 LEU 84 7.634 -4.485 -11.051 658 1HD2 LEU 84 1HD2 LEU 84 4.502 -6.596 -11.077 659 2HD2 LEU 84 2HD2 LEU 84 4.721 -7.116 -9.406 660 3HD2 LEU 84 3HD2 LEU 84 4.357 -5.429 -9.763 661 H GLU 85 H GLU 85 9.802 -8.507 -9.825 662 HA GLU 85 HA GLU 85 10.173 -10.471 -11.863 663 1HB GLU 85 2HB GLU 85 11.773 -8.607 -10.779 664 2HB GLU 85 3HB GLU 85 12.289 -9.990 -9.818 665 1HG GLU 85 2HG GLU 85 12.174 -9.950 -12.847 666 2HG GLU 85 3HG GLU 85 13.638 -9.697 -11.899 667 H HIS 86 H HIS 86 10.265 -12.654 -11.716 668 HA HIS 86 HA HIS 86 9.196 -14.074 -9.605 669 1HB HIS 86 2HB HIS 86 10.164 -16.089 -10.602 670 2HB HIS 86 3HB HIS 86 9.505 -15.036 -11.849 671 HD1 HIS 86 HD1 HIS 86 12.909 -14.920 -10.108 672 HD2 HIS 86 HD2 HIS 86 11.297 -15.268 -13.936 673 HE1 HIS 86 HE1 HIS 86 14.866 -14.922 -11.710 674 H HIS 87 H HIS 87 10.214 -15.677 -8.183 675 HA HIS 87 HA HIS 87 12.980 -15.272 -7.434 676 1HB HIS 87 2HB HIS 87 12.457 -14.636 -5.090 677 2HB HIS 87 3HB HIS 87 11.965 -13.399 -6.248 678 HD1 HIS 87 HD1 HIS 87 9.301 -13.902 -7.129 679 HD2 HIS 87 HD2 HIS 87 10.421 -15.150 -3.313 680 HE1 HIS 87 HE1 HIS 87 7.154 -14.247 -5.831 681 H HIS 88 H HIS 88 13.197 -17.475 -7.845 682 HA HIS 88 HA HIS 88 11.482 -19.439 -6.644 683 1HB HIS 88 2HB HIS 88 14.255 -19.887 -7.768 684 2HB HIS 88 3HB HIS 88 12.950 -21.063 -7.616 685 HD1 HIS 88 HD1 HIS 88 14.181 -20.521 -10.382 686 HD2 HIS 88 HD2 HIS 88 10.834 -18.501 -8.929 687 HE1 HIS 88 HE1 HIS 88 12.943 -19.636 -12.406 688 H HIS 89 H HIS 89 14.227 -20.924 -6.085 689 HA HIS 89 HA HIS 89 15.070 -19.709 -3.597 690 1HB HIS 89 2HB HIS 89 12.902 -20.969 -3.081 691 2HB HIS 89 3HB HIS 89 13.798 -22.444 -3.443 692 HD1 HIS 89 HD1 HIS 89 13.813 -19.504 -1.056 693 HD2 HIS 89 HD2 HIS 89 15.558 -23.273 -1.422 694 HE1 HIS 89 HE1 HIS 89 15.008 -19.957 1.132 695 H HIS 90 H HIS 90 14.952 -22.763 -5.412 696 HA HIS 90 HA HIS 90 17.427 -23.794 -4.571 697 1HB HIS 90 2HB HIS 90 17.271 -24.991 -6.894 698 2HB HIS 90 3HB HIS 90 16.075 -25.357 -5.652 699 HD1 HIS 90 HD1 HIS 90 16.509 -23.353 -8.834 700 HD2 HIS 90 HD2 HIS 90 13.453 -24.556 -6.266 701 HE1 HIS 90 HE1 HIS 90 14.330 -22.757 -9.982 702 H HIS 91 H HIS 91 19.479 -23.708 -5.442 703 HA HIS 91 HA HIS 91 20.062 -22.094 -7.775 704 1HB HIS 91 2HB HIS 91 19.848 -20.360 -6.047 705 2HB HIS 91 3HB HIS 91 21.002 -21.217 -5.028 706 HD1 HIS 91 HD1 HIS 91 23.070 -19.806 -5.088 707 HD2 HIS 91 HD2 HIS 91 21.451 -20.327 -8.895 708 HE1 HIS 91 HE1 HIS 91 24.707 -18.759 -6.713 Start of MODEL 9 1 1H MET 1 1HT MET 1 14.432 2.759 -4.462 2 2H MET 1 2HT MET 1 13.839 1.396 -5.287 3 3H MET 1 3HT MET 1 14.062 1.344 -3.603 4 HA MET 1 HA MET 1 12.369 3.125 -3.378 5 1HB MET 1 2HB MET 1 11.836 2.419 -6.281 6 2HB MET 1 3HB MET 1 10.930 3.569 -5.297 7 1HG MET 1 2HG MET 1 12.932 4.981 -5.078 8 2HG MET 1 3HG MET 1 13.866 3.822 -6.021 9 1HE MET 1 1HE MET 1 13.375 7.170 -7.127 10 2HE MET 1 2HE MET 1 13.892 6.375 -8.612 11 3HE MET 1 3HE MET 1 14.552 5.851 -7.064 12 H LYS 2 H LYS 2 12.616 0.774 -2.299 13 HA LYS 2 HA LYS 2 10.051 -0.558 -2.816 14 1HB LYS 2 2HB LYS 2 11.083 -2.780 -2.706 15 2HB LYS 2 3HB LYS 2 11.755 -1.855 -4.048 16 1HG LYS 2 2HG LYS 2 13.686 -1.219 -2.606 17 2HG LYS 2 3HG LYS 2 13.032 -2.239 -1.324 18 1HD LYS 2 2HD LYS 2 13.107 -4.178 -2.955 19 2HD LYS 2 3HD LYS 2 13.994 -3.122 -4.059 20 1HE LYS 2 2HE LYS 2 15.749 -2.800 -2.369 21 2HE LYS 2 3HE LYS 2 14.856 -3.808 -1.232 22 1HZ LYS 2 1HZ LYS 2 15.836 -5.566 -2.113 23 2HZ LYS 2 1HZ LYS 2 16.630 -4.603 -3.267 24 3HZ LYS 2 3HZ LYS 2 15.091 -5.243 -3.602 25 H ILE 3 H ILE 3 10.389 -2.643 -0.986 26 HA ILE 3 HA ILE 3 10.023 -1.204 1.498 27 HB ILE 3 HB ILE 3 9.985 -4.188 0.964 28 1HG1 ILE 3 2HG1 ILE 3 7.547 -2.461 1.292 29 2HG1 ILE 3 3HG1 ILE 3 8.348 -2.519 -0.276 30 1HG2 ILE 3 1HG2 ILE 3 8.683 -4.277 3.054 31 2HG2 ILE 3 2HG2 ILE 3 10.265 -3.560 3.350 32 3HG2 ILE 3 3HG2 ILE 3 8.839 -2.530 3.240 33 1HD1 ILE 3 1HD1 ILE 3 7.382 -4.940 1.275 34 2HD1 ILE 3 2HD1 ILE 3 6.556 -4.223 -0.107 35 3HD1 ILE 3 3HD1 ILE 3 8.141 -4.968 -0.317 36 H ILE 4 H ILE 4 11.555 -0.800 2.941 37 HA ILE 4 HA ILE 4 14.074 -2.342 2.794 38 HB ILE 4 HB ILE 4 13.659 0.369 4.061 39 1HG1 ILE 4 2HG1 ILE 4 13.119 0.625 1.714 40 2HG1 ILE 4 3HG1 ILE 4 14.753 1.236 1.957 41 1HG2 ILE 4 1HG2 ILE 4 16.060 -1.288 3.264 42 2HG2 ILE 4 2HG2 ILE 4 16.173 0.439 3.605 43 3HG2 ILE 4 3HG2 ILE 4 15.644 -0.674 4.866 44 1HD1 ILE 4 1HD1 ILE 4 15.432 -1.253 1.363 45 2HD1 ILE 4 2HD1 ILE 4 13.854 -1.269 0.580 46 3HD1 ILE 4 3HD1 ILE 4 15.071 -0.097 0.082 47 H SER 5 H SER 5 11.755 -0.880 5.053 48 HA SER 5 HA SER 5 11.933 -3.056 6.883 49 1HB SER 5 2HB SER 5 13.929 -2.348 7.788 50 2HB SER 5 3HB SER 5 13.662 -0.668 7.333 51 HG SER 5 HG SER 5 12.044 -0.611 8.993 52 H ILE 6 H ILE 6 10.464 -2.841 8.648 53 HA ILE 6 HA ILE 6 8.414 -0.786 8.170 54 HB ILE 6 HB ILE 6 7.944 -2.935 10.173 55 1HG1 ILE 6 2HG1 ILE 6 9.158 -4.168 8.399 56 2HG1 ILE 6 3HG1 ILE 6 7.452 -4.607 8.418 57 1HG2 ILE 6 1HG2 ILE 6 6.350 -1.082 9.147 58 2HG2 ILE 6 2HG2 ILE 6 6.182 -2.254 7.841 59 3HG2 ILE 6 3HG2 ILE 6 5.735 -2.699 9.486 60 1HD1 ILE 6 1HD1 ILE 6 6.979 -3.286 6.495 61 2HD1 ILE 6 2HD1 ILE 6 8.518 -2.435 6.605 62 3HD1 ILE 6 3HD1 ILE 6 8.481 -4.127 6.117 63 H SER 7 H SER 7 7.249 -0.853 10.753 64 HA SER 7 HA SER 7 9.341 0.003 12.604 65 1HB SER 7 2HB SER 7 7.205 1.843 11.524 66 2HB SER 7 3HB SER 7 8.056 2.156 13.034 67 HG SER 7 HG SER 7 9.857 1.507 11.205 68 H GLU 8 H GLU 8 8.439 -2.047 13.472 69 HA GLU 8 HA GLU 8 5.927 -2.608 14.325 70 1HB GLU 8 2HB GLU 8 7.602 -3.162 16.570 71 2HB GLU 8 3HB GLU 8 6.978 -4.280 15.367 72 1HG GLU 8 2HG GLU 8 9.463 -2.599 14.937 73 2HG GLU 8 3HG GLU 8 9.502 -4.237 15.581 74 H THR 9 H THR 9 4.477 -1.792 15.668 75 HA THR 9 HA THR 9 5.271 0.014 17.826 76 HB THR 9 HB THR 9 4.978 1.618 16.095 77 HG1 THR 9 HG1 THR 9 2.581 1.281 17.567 78 1HG2 THR 9 1HG2 THR 9 2.461 0.104 15.354 79 2HG2 THR 9 2HG2 THR 9 3.005 1.601 14.601 80 3HG2 THR 9 3HG2 THR 9 3.964 0.130 14.432 81 HA PRO 10 HA PRO 10 2.117 -2.039 20.091 82 1HB PRO 10 2HB PRO 10 0.946 0.366 21.158 83 2HB PRO 10 3HB PRO 10 2.036 -0.772 21.961 84 1HG PRO 10 2HG PRO 10 2.607 1.837 20.827 85 2HG PRO 10 3HG PRO 10 3.590 0.836 21.906 86 1HD PRO 10 2HD PRO 10 4.168 1.312 19.236 87 2HD PRO 10 3HD PRO 10 4.793 -0.054 20.179 88 H ASN 11 H ASN 11 1.472 0.324 17.711 89 HA ASN 11 HA ASN 11 -1.421 -0.186 17.713 90 1HB ASN 11 2HB ASN 11 -0.215 2.155 17.423 91 2HB ASN 11 3HB ASN 11 -0.081 1.627 15.746 92 1HD2 ASN 11 2HD2 ASN 11 -2.646 1.544 18.308 93 2HD2 ASN 11 1HD2 ASN 11 -3.882 2.077 17.278 94 H HIS 12 H HIS 12 -2.440 -0.605 15.590 95 HA HIS 12 HA HIS 12 -0.711 -2.000 13.667 96 1HB HIS 12 2HB HIS 12 -3.209 -3.212 14.886 97 2HB HIS 12 3HB HIS 12 -2.255 -3.918 13.582 98 HD1 HIS 12 HD1 HIS 12 -2.465 -3.730 17.232 99 HD2 HIS 12 HD2 HIS 12 0.521 -4.548 14.439 100 HE1 HIS 12 HE1 HIS 12 -0.578 -4.840 18.505 101 H ASN 13 H ASN 13 -3.268 -3.076 12.467 102 HA ASN 13 HA ASN 13 -4.855 -2.480 10.932 103 1HB ASN 13 2HB ASN 13 -4.722 0.371 11.881 104 2HB ASN 13 3HB ASN 13 -6.089 -0.501 11.198 105 1HD2 ASN 13 2HD2 ASN 13 -5.325 -2.913 12.994 106 2HD2 ASN 13 1HD2 ASN 13 -5.939 -2.485 14.517 107 H THR 14 H THR 14 -2.196 -0.143 11.289 108 HA THR 14 HA THR 14 -1.664 -0.382 8.432 109 HB THR 14 HB THR 14 -3.199 1.577 8.592 110 HG1 THR 14 HG1 THR 14 -1.689 3.028 7.577 111 1HG2 THR 14 1HG2 THR 14 -2.424 2.197 10.933 112 2HG2 THR 14 2HG2 THR 14 -0.970 2.866 10.192 113 3HG2 THR 14 3HG2 THR 14 -2.550 3.547 9.807 114 H MET 15 H MET 15 0.464 -0.331 7.981 115 HA MET 15 HA MET 15 2.301 0.366 10.194 116 1HB MET 15 2HB MET 15 3.888 -1.224 8.989 117 2HB MET 15 3HB MET 15 2.503 -1.965 9.787 118 1HG MET 15 2HG MET 15 1.672 -2.730 7.834 119 2HG MET 15 3HG MET 15 1.874 -1.164 7.051 120 1HE MET 15 1HE MET 15 4.160 -4.901 6.431 121 2HE MET 15 2HE MET 15 2.492 -4.450 6.092 122 3HE MET 15 3HE MET 15 3.036 -4.591 7.762 123 H LYS 16 H LYS 16 4.485 1.064 9.480 124 HA LYS 16 HA LYS 16 4.255 2.961 7.238 125 1HB LYS 16 2HB LYS 16 4.915 4.064 9.241 126 2HB LYS 16 3HB LYS 16 6.085 2.806 9.638 127 1HG LYS 16 2HG LYS 16 7.530 3.456 7.833 128 2HG LYS 16 3HG LYS 16 6.304 4.524 7.154 129 1HD LYS 16 2HD LYS 16 6.634 6.158 8.766 130 2HD LYS 16 3HD LYS 16 7.201 5.003 9.972 131 1HE LYS 16 2HE LYS 16 9.363 5.010 9.171 132 2HE LYS 16 3HE LYS 16 8.861 5.333 7.512 133 1HZ LYS 16 1HZ LYS 16 8.185 7.471 9.281 134 2HZ LYS 16 1HZ LYS 16 9.059 7.510 7.824 135 3HZ LYS 16 3HZ LYS 16 9.853 7.159 9.285 136 H ILE 17 H ILE 17 5.327 2.615 5.387 137 HA ILE 17 HA ILE 17 7.251 0.389 5.274 138 HB ILE 17 HB ILE 17 5.671 1.848 3.150 139 1HG1 ILE 17 2HG1 ILE 17 5.769 -1.072 3.985 140 2HG1 ILE 17 3HG1 ILE 17 4.538 0.074 4.511 141 1HG2 ILE 17 1HG2 ILE 17 7.693 1.458 2.021 142 2HG2 ILE 17 2HG2 ILE 17 8.023 -0.021 2.924 143 3HG2 ILE 17 3HG2 ILE 17 6.777 -0.011 1.678 144 1HD1 ILE 17 1HD1 ILE 17 4.254 0.507 1.926 145 2HD1 ILE 17 2HD1 ILE 17 5.000 -1.086 1.782 146 3HD1 ILE 17 3HD1 ILE 17 3.490 -0.896 2.672 147 H THR 18 H THR 18 9.352 0.820 5.255 148 HA THR 18 HA THR 18 10.292 3.547 4.836 149 HB THR 18 HB THR 18 11.876 1.062 5.527 150 HG1 THR 18 HG1 THR 18 11.529 2.772 7.542 151 1HG2 THR 18 1HG2 THR 18 13.409 2.699 4.808 152 2HG2 THR 18 2HG2 THR 18 12.458 4.020 5.491 153 3HG2 THR 18 3HG2 THR 18 13.354 2.933 6.554 154 H LEU 19 H LEU 19 11.350 4.271 3.076 155 HA LEU 19 HA LEU 19 11.759 2.371 0.854 156 1HB LEU 19 2HB LEU 19 11.654 5.387 0.702 157 2HB LEU 19 3HB LEU 19 11.569 4.241 -0.636 158 HG LEU 19 HG LEU 19 9.535 4.221 1.603 159 1HD1 LEU 19 1HD1 LEU 19 8.067 5.535 0.086 160 2HD1 LEU 19 2HD1 LEU 19 9.474 6.457 0.612 161 3HD1 LEU 19 3HD1 LEU 19 9.432 5.761 -1.009 162 1HD2 LEU 19 1HD2 LEU 19 9.730 3.079 -1.190 163 2HD2 LEU 19 2HD2 LEU 19 9.443 2.221 0.325 164 3HD2 LEU 19 3HD2 LEU 19 8.179 3.238 -0.367 165 H SER 20 H SER 20 13.621 2.872 -0.605 166 HA SER 20 HA SER 20 16.054 2.926 0.882 167 1HB SER 20 2HB SER 20 15.555 1.716 -1.348 168 2HB SER 20 3HB SER 20 15.862 3.274 -2.105 169 HG SER 20 HG SER 20 17.925 3.216 -1.416 170 H GLU 21 H GLU 21 14.030 5.380 -0.177 171 HA GLU 21 HA GLU 21 16.211 7.297 -0.569 172 1HB GLU 21 2HB GLU 21 13.228 7.738 -0.862 173 2HB GLU 21 3HB GLU 21 14.511 8.826 -1.384 174 1HG GLU 21 2HG GLU 21 13.965 7.715 -3.374 175 2HG GLU 21 3HG GLU 21 15.339 6.784 -2.791 176 H SER 22 H SER 22 17.008 7.803 1.434 177 HA SER 22 HA SER 22 15.183 8.408 3.638 178 1HB SER 22 2HB SER 22 17.369 7.086 3.874 179 2HB SER 22 3HB SER 22 18.193 8.629 3.677 180 HG SER 22 HG SER 22 16.813 7.622 5.814 181 H ARG 23 H ARG 23 16.107 10.376 5.035 182 HA ARG 23 HA ARG 23 15.770 12.689 5.117 183 1HB ARG 23 2HB ARG 23 18.276 12.336 3.453 184 2HB ARG 23 3HB ARG 23 17.807 13.842 4.242 185 1HG ARG 23 2HG ARG 23 17.995 11.296 5.836 186 2HG ARG 23 3HG ARG 23 19.450 12.222 5.476 187 1HD ARG 23 2HD ARG 23 16.978 13.281 6.877 188 2HD ARG 23 3HD ARG 23 18.510 12.892 7.650 189 HE ARG 23 HE ARG 23 17.996 15.172 5.860 190 1HH1 ARG 23 1HH2 ARG 23 19.506 14.123 8.682 191 2HH1 ARG 23 2HH2 ARG 23 20.952 15.053 8.470 192 1HH2 ARG 23 1HH1 ARG 23 20.158 16.053 5.248 193 2HH2 ARG 23 2HH1 ARG 23 21.321 16.140 6.528 194 H GLU 24 H GLU 24 17.289 13.898 2.493 195 HA GLU 24 HA GLU 24 16.388 15.294 0.856 196 1HB GLU 24 2HB GLU 24 15.694 12.455 0.102 197 2HB GLU 24 3HB GLU 24 15.390 13.807 -0.987 198 1HG GLU 24 2HG GLU 24 17.550 12.947 -1.570 199 2HG GLU 24 3HG GLU 24 17.833 14.449 -0.696 200 H GLY 25 H GLY 25 13.781 13.269 -0.011 201 1HA GLY 25 1HA GLY 25 11.592 13.493 1.302 202 2HA GLY 25 2HA GLY 25 11.878 15.220 1.133 203 H MET 26 H MET 26 9.993 12.921 -0.014 204 HA MET 26 HA MET 26 10.160 13.579 -2.868 205 1HB MET 26 2HB MET 26 8.345 11.675 -1.359 206 2HB MET 26 3HB MET 26 8.383 11.873 -3.112 207 1HG MET 26 2HG MET 26 10.521 10.925 -3.298 208 2HG MET 26 3HG MET 26 10.906 11.217 -1.603 209 1HE MET 26 1HE MET 26 11.615 8.364 -2.609 210 2HE MET 26 2HE MET 26 10.582 8.793 -3.970 211 3HE MET 26 3HE MET 26 10.255 7.323 -3.056 212 H THR 27 H THR 27 7.125 12.951 -1.263 213 HA THR 27 HA THR 27 6.304 15.692 -1.033 214 HB THR 27 HB THR 27 4.708 14.188 -3.081 215 HG1 THR 27 HG1 THR 27 7.139 15.563 -3.491 216 1HG2 THR 27 1HG2 THR 27 4.079 16.403 -3.767 217 2HG2 THR 27 2HG2 THR 27 3.985 16.365 -2.007 218 3HG2 THR 27 3HG2 THR 27 5.362 17.131 -2.801 219 H SER 28 H SER 28 3.478 14.708 -1.722 220 HA SER 28 HA SER 28 2.925 12.673 0.253 221 1HB SER 28 2HB SER 28 1.533 14.076 1.691 222 2HB SER 28 3HB SER 28 3.182 14.692 1.671 223 HG SER 28 HG SER 28 2.349 16.063 -0.134 224 H ASP 29 H ASP 29 1.052 11.628 -0.234 225 HA ASP 29 HA ASP 29 -1.067 12.935 -1.736 226 1HB ASP 29 2HB ASP 29 0.615 10.729 -2.934 227 2HB ASP 29 3HB ASP 29 -1.006 11.113 -3.506 228 H THR 30 H THR 30 -3.007 12.045 -1.275 229 HA THR 30 HA THR 30 -3.018 9.589 0.364 230 HB THR 30 HB THR 30 -5.404 11.384 0.080 231 HG1 THR 30 HG1 THR 30 -4.446 12.483 1.968 232 1HG2 THR 30 1HG2 THR 30 -5.691 10.675 2.454 233 2HG2 THR 30 2HG2 THR 30 -5.635 9.308 1.341 234 3HG2 THR 30 3HG2 THR 30 -4.222 9.712 2.316 235 H TYR 31 H TYR 31 -3.669 7.759 -0.588 236 HA TYR 31 HA TYR 31 -5.420 7.968 -2.965 237 1HB TYR 31 2HB TYR 31 -3.564 5.673 -2.305 238 2HB TYR 31 3HB TYR 31 -4.439 5.950 -3.808 239 HD1 TYR 31 HD1 TYR 31 -1.316 6.283 -2.256 240 HD2 TYR 31 HD2 TYR 31 -3.996 8.387 -4.873 241 HE1 TYR 31 HE1 TYR 31 0.582 7.613 -3.134 242 HE2 TYR 31 HE2 TYR 31 -2.094 9.714 -5.752 243 HH TYR 31 HH TYR 31 1.173 8.898 -5.095 244 H THR 32 H THR 32 -7.438 7.440 -2.538 245 HA THR 32 HA THR 32 -7.977 5.176 -0.711 246 HB THR 32 HB THR 32 -10.186 6.427 -0.270 247 HG1 THR 32 HG1 THR 32 -10.235 8.063 -1.639 248 1HG2 THR 32 1HG2 THR 32 -8.951 8.023 1.360 249 2HG2 THR 32 2HG2 THR 32 -8.676 6.290 1.535 250 3HG2 THR 32 3HG2 THR 32 -7.475 7.297 0.725 251 H LYS 33 H LYS 33 -8.127 6.397 -3.799 252 HA LYS 33 HA LYS 33 -9.812 4.241 -4.726 253 1HB LYS 33 2HB LYS 33 -11.552 5.839 -4.211 254 2HB LYS 33 3HB LYS 33 -10.670 7.134 -5.018 255 1HG LYS 33 2HG LYS 33 -11.438 6.524 -7.053 256 2HG LYS 33 3HG LYS 33 -11.094 4.820 -6.761 257 1HD LYS 33 2HD LYS 33 -13.486 6.280 -5.603 258 2HD LYS 33 3HD LYS 33 -13.541 5.328 -7.088 259 1HE LYS 33 2HE LYS 33 -12.285 3.640 -5.250 260 2HE LYS 33 3HE LYS 33 -13.559 4.421 -4.314 261 1HZ LYS 33 1HZ LYS 33 -13.790 2.403 -6.266 262 2HZ LYS 33 1HZ LYS 33 -14.638 3.778 -6.791 263 3HZ LYS 33 3HZ LYS 33 -14.999 3.076 -5.286 264 H VAL 34 H VAL 34 -7.179 4.513 -5.179 265 HA VAL 34 HA VAL 34 -5.534 4.692 -6.767 266 HB VAL 34 HB VAL 34 -7.895 4.440 -8.653 267 1HG1 VAL 34 1HG1 VAL 34 -6.052 5.007 -10.012 268 2HG1 VAL 34 2HG1 VAL 34 -4.909 4.159 -8.970 269 3HG1 VAL 34 3HG1 VAL 34 -6.003 3.244 -10.006 270 1HG2 VAL 34 1HG2 VAL 34 -8.031 2.545 -7.264 271 2HG2 VAL 34 2HG2 VAL 34 -7.010 1.977 -8.586 272 3HG2 VAL 34 3HG2 VAL 34 -6.281 2.458 -7.054 273 H ASP 35 H ASP 35 -4.759 5.977 -8.732 274 HA ASP 35 HA ASP 35 -6.055 8.482 -9.303 275 1HB ASP 35 2HB ASP 35 -5.151 9.022 -7.098 276 2HB ASP 35 3HB ASP 35 -3.549 8.500 -7.602 277 H ASP 36 H ASP 36 -2.626 8.706 -9.241 278 HA ASP 36 HA ASP 36 -2.075 7.382 -11.718 279 1HB ASP 36 2HB ASP 36 -3.482 9.408 -12.396 280 2HB ASP 36 3HB ASP 36 -2.113 10.391 -11.888 281 H SER 37 H SER 37 -1.119 10.264 -9.830 282 HA SER 37 HA SER 37 1.569 10.364 -10.419 283 1HB SER 37 2HB SER 37 1.859 11.335 -8.117 284 2HB SER 37 3HB SER 37 0.567 12.074 -9.059 285 HG SER 37 HG SER 37 -0.804 10.419 -7.963 286 H GLN 38 H GLN 38 -0.119 7.959 -8.632 287 HA GLN 38 HA GLN 38 2.277 6.860 -7.386 288 1HB GLN 38 2HB GLN 38 0.800 5.261 -6.377 289 2HB GLN 38 3HB GLN 38 -0.016 6.821 -6.300 290 1HG GLN 38 2HG GLN 38 -0.903 5.969 -8.709 291 2HG GLN 38 3HG GLN 38 -0.683 4.414 -7.911 292 1HE2 GLN 38 2HE2 GLN 38 -1.383 5.104 -5.248 293 2HE2 GLN 38 1HE2 GLN 38 -3.016 5.565 -5.216 294 HA PRO 39 HA PRO 39 3.430 4.261 -10.753 295 1HB PRO 39 2HB PRO 39 3.858 1.915 -9.149 296 2HB PRO 39 3HB PRO 39 5.071 3.032 -9.789 297 1HG PRO 39 2HG PRO 39 4.088 2.767 -7.099 298 2HG PRO 39 3HG PRO 39 5.439 3.729 -7.703 299 1HD PRO 39 2HD PRO 39 2.978 4.725 -6.763 300 2HD PRO 39 3HD PRO 39 4.204 5.638 -7.663 301 H ALA 40 H ALA 40 2.253 2.991 -12.165 302 HA ALA 40 HA ALA 40 -0.393 2.334 -11.764 303 1HB ALA 40 1HB ALA 40 1.554 0.783 -13.487 304 2HB ALA 40 2HB ALA 40 -0.204 0.780 -13.639 305 3HB ALA 40 3HB ALA 40 0.709 2.251 -13.977 306 H PHE 41 H PHE 41 2.485 0.481 -11.009 307 HA PHE 41 HA PHE 41 1.368 -1.989 -10.356 308 1HB PHE 41 2HB PHE 41 3.640 -0.717 -8.825 309 2HB PHE 41 3HB PHE 41 3.374 -2.426 -9.160 310 HD1 PHE 41 HD1 PHE 41 2.994 -2.837 -11.873 311 HD2 PHE 41 HD2 PHE 41 5.357 0.256 -10.051 312 HE1 PHE 41 HE1 PHE 41 4.340 -2.642 -13.947 313 HE2 PHE 41 HE2 PHE 41 6.704 0.448 -12.126 314 HZ PHE 41 HZ PHE 41 6.194 -1.001 -14.074 315 H ILE 42 H ILE 42 1.533 1.014 -8.519 316 HA ILE 42 HA ILE 42 0.635 -0.112 -6.040 317 HB ILE 42 HB ILE 42 1.104 2.640 -7.109 318 1HG1 ILE 42 2HG1 ILE 42 2.802 1.144 -5.906 319 2HG1 ILE 42 3HG1 ILE 42 2.614 2.777 -5.274 320 1HG2 ILE 42 1HG2 ILE 42 0.204 3.542 -4.905 321 2HG2 ILE 42 2HG2 ILE 42 -1.017 3.037 -6.073 322 3HG2 ILE 42 3HG2 ILE 42 -0.618 1.996 -4.706 323 1HD1 ILE 42 1HD1 ILE 42 0.783 0.781 -4.093 324 2HD1 ILE 42 2HD1 ILE 42 2.490 0.526 -3.735 325 3HD1 ILE 42 3HD1 ILE 42 1.721 2.054 -3.311 326 H ASN 43 H ASN 43 -0.948 0.931 -8.947 327 HA ASN 43 HA ASN 43 -3.493 1.565 -7.889 328 1HB ASN 43 2HB ASN 43 -2.834 0.300 -10.567 329 2HB ASN 43 3HB ASN 43 -4.333 1.110 -10.139 330 1HD2 ASN 43 2HD2 ASN 43 -2.162 2.959 -8.543 331 2HD2 ASN 43 1HD2 ASN 43 -1.776 4.084 -9.752 332 H ASP 44 H ASP 44 -1.935 -1.430 -8.892 333 HA ASP 44 HA ASP 44 -4.084 -3.206 -8.685 334 1HB ASP 44 2HB ASP 44 -1.768 -3.715 -9.559 335 2HB ASP 44 3HB ASP 44 -1.223 -3.791 -7.888 336 H ILE 45 H ILE 45 -1.685 -2.291 -6.216 337 HA ILE 45 HA ILE 45 -2.562 -3.776 -4.068 338 HB ILE 45 HB ILE 45 -1.593 -0.907 -3.927 339 1HG1 ILE 45 2HG1 ILE 45 -0.129 -3.542 -4.195 340 2HG1 ILE 45 3HG1 ILE 45 0.018 -2.114 -5.219 341 1HG2 ILE 45 1HG2 ILE 45 -2.579 -2.015 -1.844 342 2HG2 ILE 45 2HG2 ILE 45 -1.228 -3.147 -1.923 343 3HG2 ILE 45 3HG2 ILE 45 -0.926 -1.426 -1.690 344 1HD1 ILE 45 1HD1 ILE 45 0.649 -1.049 -2.789 345 2HD1 ILE 45 2HD1 ILE 45 1.264 -2.692 -2.595 346 3HD1 ILE 45 3HD1 ILE 45 1.846 -1.683 -3.918 347 H LEU 46 H LEU 46 -3.506 -0.395 -4.698 348 HA LEU 46 HA LEU 46 -5.416 -0.072 -2.761 349 1HB LEU 46 2HB LEU 46 -5.295 1.001 -5.575 350 2HB LEU 46 3HB LEU 46 -6.548 1.494 -4.436 351 HG LEU 46 HG LEU 46 -3.586 1.645 -3.803 352 1HD1 LEU 46 1HD1 LEU 46 -5.350 3.966 -4.612 353 2HD1 LEU 46 2HD1 LEU 46 -3.599 3.949 -4.410 354 3HD1 LEU 46 3HD1 LEU 46 -4.335 3.101 -5.769 355 1HD2 LEU 46 1HD2 LEU 46 -6.122 2.332 -2.413 356 2HD2 LEU 46 2HD2 LEU 46 -4.564 1.854 -1.742 357 3HD2 LEU 46 3HD2 LEU 46 -4.823 3.516 -2.272 358 H LYS 47 H LYS 47 -5.746 -1.783 -5.819 359 HA LYS 47 HA LYS 47 -8.597 -2.174 -5.534 360 1HB LYS 47 2HB LYS 47 -6.617 -2.499 -7.581 361 2HB LYS 47 3HB LYS 47 -7.498 -4.015 -7.397 362 1HG LYS 47 2HG LYS 47 -8.797 -2.795 -8.943 363 2HG LYS 47 3HG LYS 47 -9.630 -2.535 -7.410 364 1HD LYS 47 2HD LYS 47 -8.171 -0.427 -7.171 365 2HD LYS 47 3HD LYS 47 -7.787 -0.643 -8.878 366 1HE LYS 47 2HE LYS 47 -10.574 -0.346 -7.715 367 2HE LYS 47 3HE LYS 47 -9.692 0.893 -8.609 368 1HZ LYS 47 1HZ LYS 47 -9.586 -0.683 -10.494 369 2HZ LYS 47 1HZ LYS 47 -11.170 -0.213 -10.097 370 3HZ LYS 47 3HZ LYS 47 -10.593 -1.743 -9.634 371 H VAL 48 H VAL 48 -5.815 -3.721 -4.268 372 HA VAL 48 HA VAL 48 -6.932 -6.378 -4.093 373 HB VAL 48 HB VAL 48 -4.506 -5.053 -2.864 374 1HG1 VAL 48 1HG1 VAL 48 -5.725 -7.751 -2.312 375 2HG1 VAL 48 2HG1 VAL 48 -3.976 -7.537 -2.239 376 3HG1 VAL 48 3HG1 VAL 48 -5.024 -6.599 -1.176 377 1HG2 VAL 48 1HG2 VAL 48 -4.930 -7.242 -4.923 378 2HG2 VAL 48 2HG2 VAL 48 -4.327 -5.616 -5.230 379 3HG2 VAL 48 3HG2 VAL 48 -3.354 -6.757 -4.300 380 H GLU 49 H GLU 49 -8.675 -6.723 -2.868 381 HA GLU 49 HA GLU 49 -9.666 -5.133 -0.821 382 1HB GLU 49 2HB GLU 49 -9.973 -8.120 -1.229 383 2HB GLU 49 3HB GLU 49 -10.965 -7.151 -0.138 384 1HG GLU 49 2HG GLU 49 -10.674 -6.404 -3.050 385 2HG GLU 49 3HG GLU 49 -11.870 -7.591 -2.534 386 H GLY 50 H GLY 50 -9.312 -4.924 1.316 387 1HA GLY 50 1HA GLY 50 -8.576 -5.739 3.465 388 2HA GLY 50 2HA GLY 50 -7.403 -6.760 2.633 389 H VAL 51 H VAL 51 -7.319 -4.064 0.917 390 HA VAL 51 HA VAL 51 -4.877 -3.114 2.135 391 HB VAL 51 HB VAL 51 -6.314 -2.594 -0.446 392 1HG1 VAL 51 1HG1 VAL 51 -4.388 -0.960 -0.926 393 2HG1 VAL 51 2HG1 VAL 51 -5.681 -0.358 0.112 394 3HG1 VAL 51 3HG1 VAL 51 -4.155 -0.887 0.821 395 1HG2 VAL 51 1HG2 VAL 51 -4.274 -3.450 -1.372 396 2HG2 VAL 51 2HG2 VAL 51 -3.420 -3.258 0.154 397 3HG2 VAL 51 3HG2 VAL 51 -4.664 -4.496 -0.015 398 H LYS 52 H LYS 52 -8.178 -2.198 2.165 399 HA LYS 52 HA LYS 52 -9.388 -0.490 3.027 400 1HB LYS 52 2HB LYS 52 -7.890 -1.271 5.028 401 2HB LYS 52 3HB LYS 52 -7.070 0.268 4.769 402 1HG LYS 52 2HG LYS 52 -9.536 1.223 4.725 403 2HG LYS 52 3HG LYS 52 -9.895 -0.242 5.635 404 1HD LYS 52 2HD LYS 52 -7.702 1.709 6.397 405 2HD LYS 52 3HD LYS 52 -9.331 1.762 7.068 406 1HE LYS 52 2HE LYS 52 -8.935 -0.740 7.654 407 2HE LYS 52 3HE LYS 52 -7.229 -0.368 7.410 408 1HZ LYS 52 1HZ LYS 52 -7.514 1.488 9.005 409 2HZ LYS 52 1HZ LYS 52 -7.748 -0.046 9.697 410 3HZ LYS 52 3HZ LYS 52 -9.085 0.934 9.323 411 H SER 53 H SER 53 -6.061 0.744 3.072 412 HA SER 53 HA SER 53 -6.488 2.573 0.929 413 1HB SER 53 2HB SER 53 -7.791 4.028 2.115 414 2HB SER 53 3HB SER 53 -7.159 3.499 3.670 415 HG SER 53 HG SER 53 -5.306 4.700 3.278 416 H ILE 54 H ILE 54 -4.760 4.328 0.901 417 HA ILE 54 HA ILE 54 -2.279 3.533 2.265 418 HB ILE 54 HB ILE 54 -2.622 3.838 -0.731 419 1HG1 ILE 54 2HG1 ILE 54 -1.492 1.551 0.912 420 2HG1 ILE 54 3HG1 ILE 54 -3.155 1.609 0.335 421 1HG2 ILE 54 1HG2 ILE 54 -0.578 4.959 -0.216 422 2HG2 ILE 54 2HG2 ILE 54 -0.149 3.765 1.011 423 3HG2 ILE 54 3HG2 ILE 54 -0.103 3.331 -0.697 424 1HD1 ILE 54 1HD1 ILE 54 -2.190 0.445 -1.410 425 2HD1 ILE 54 2HD1 ILE 54 -1.949 2.091 -1.994 426 3HD1 ILE 54 3HD1 ILE 54 -0.624 1.231 -1.209 427 H PHE 55 H PHE 55 -0.774 5.229 2.485 428 HA PHE 55 HA PHE 55 -1.585 7.886 1.512 429 1HB PHE 55 2HB PHE 55 -2.552 7.861 3.699 430 2HB PHE 55 3HB PHE 55 -1.112 7.128 4.401 431 HD1 PHE 55 HD1 PHE 55 0.153 8.588 5.691 432 HD2 PHE 55 HD2 PHE 55 -1.836 10.087 2.189 433 HE1 PHE 55 HE1 PHE 55 1.082 10.843 6.128 434 HE2 PHE 55 HE2 PHE 55 -0.904 12.343 2.628 435 HZ PHE 55 HZ PHE 55 0.555 12.719 4.599 436 H HIS 56 H HIS 56 0.107 8.682 0.457 437 HA HIS 56 HA HIS 56 2.810 7.778 1.152 438 1HB HIS 56 2HB HIS 56 2.388 7.611 -1.175 439 2HB HIS 56 3HB HIS 56 1.644 9.210 -1.234 440 HD1 HIS 56 HD1 HIS 56 3.155 10.923 -2.200 441 HD2 HIS 56 HD2 HIS 56 5.309 7.984 -0.173 442 HE1 HIS 56 HE1 HIS 56 5.600 11.545 -2.425 443 H VAL 57 H VAL 57 4.399 9.096 1.878 444 HA VAL 57 HA VAL 57 4.249 11.946 1.828 445 HB VAL 57 HB VAL 57 2.637 11.454 3.655 446 1HG1 VAL 57 1HG1 VAL 57 5.065 10.137 4.883 447 2HG1 VAL 57 2HG1 VAL 57 3.655 10.629 5.820 448 3HG1 VAL 57 3HG1 VAL 57 3.494 9.409 4.556 449 1HG2 VAL 57 1HG2 VAL 57 4.087 12.775 5.450 450 2HG2 VAL 57 2HG2 VAL 57 5.207 12.932 4.099 451 3HG2 VAL 57 3HG2 VAL 57 3.564 13.557 3.959 452 H MET 58 H MET 58 6.209 12.878 2.282 453 HA MET 58 HA MET 58 8.512 12.860 2.116 454 1HB MET 58 2HB MET 58 9.559 12.263 4.284 455 2HB MET 58 3HB MET 58 8.131 13.278 4.467 456 1HG MET 58 2HG MET 58 6.794 11.454 5.195 457 2HG MET 58 3HG MET 58 7.975 10.265 4.651 458 1HE MET 58 1HE MET 58 8.125 12.999 8.312 459 2HE MET 58 2HE MET 58 6.958 12.975 6.991 460 3HE MET 58 3HE MET 58 8.549 13.687 6.739 461 H ASP 59 H ASP 59 9.792 10.533 3.905 462 HA ASP 59 HA ASP 59 10.307 8.836 1.565 463 1HB ASP 59 2HB ASP 59 12.227 8.011 3.008 464 2HB ASP 59 3HB ASP 59 12.306 9.696 2.497 465 H PHE 60 H PHE 60 7.818 8.309 2.755 466 HA PHE 60 HA PHE 60 8.116 5.521 3.254 467 1HB PHE 60 2HB PHE 60 7.631 5.293 5.511 468 2HB PHE 60 3HB PHE 60 8.711 6.680 5.505 469 HD1 PHE 60 HD1 PHE 60 5.087 5.734 5.503 470 HD2 PHE 60 HD2 PHE 60 8.014 8.748 6.393 471 HE1 PHE 60 HE1 PHE 60 3.349 7.082 6.639 472 HE2 PHE 60 HE2 PHE 60 6.270 10.099 7.529 473 HZ PHE 60 HZ PHE 60 3.940 9.265 7.654 474 H ILE 61 H ILE 61 6.070 4.408 3.601 475 HA ILE 61 HA ILE 61 3.721 5.979 2.720 476 HB ILE 61 HB ILE 61 4.404 3.180 1.777 477 1HG1 ILE 61 2HG1 ILE 61 4.754 5.876 0.424 478 2HG1 ILE 61 3HG1 ILE 61 6.034 4.742 0.857 479 1HG2 ILE 61 1HG2 ILE 61 2.465 5.074 0.482 480 2HG2 ILE 61 2HG2 ILE 61 2.484 3.312 0.458 481 3HG2 ILE 61 3HG2 ILE 61 1.962 4.169 1.908 482 1HD1 ILE 61 1HD1 ILE 61 3.869 4.362 -1.229 483 2HD1 ILE 61 2HD1 ILE 61 5.612 4.447 -1.492 484 3HD1 ILE 61 3HD1 ILE 61 4.909 3.054 -0.669 485 H SER 62 H SER 62 1.856 5.568 3.788 486 HA SER 62 HA SER 62 1.963 3.551 5.936 487 1HB SER 62 2HB SER 62 0.568 6.171 5.603 488 2HB SER 62 3HB SER 62 -0.194 4.944 6.610 489 HG SER 62 HG SER 62 1.141 5.780 8.035 490 H VAL 63 H VAL 63 1.140 1.660 5.281 491 HA VAL 63 HA VAL 63 -1.259 1.644 3.565 492 HB VAL 63 HB VAL 63 0.584 -0.650 4.292 493 1HG1 VAL 63 1HG1 VAL 63 -1.483 -0.406 2.086 494 2HG1 VAL 63 2HG1 VAL 63 -0.561 -1.844 2.524 495 3HG1 VAL 63 3HG1 VAL 63 -1.785 -1.212 3.625 496 1HG2 VAL 63 1HG2 VAL 63 0.485 1.208 1.899 497 2HG2 VAL 63 2HG2 VAL 63 1.850 0.921 2.979 498 3HG2 VAL 63 3HG2 VAL 63 1.320 -0.344 1.869 499 H ASP 64 H ASP 64 -3.162 1.366 4.514 500 HA ASP 64 HA ASP 64 -3.302 0.228 7.229 501 1HB ASP 64 2HB ASP 64 -5.449 1.632 5.649 502 2HB ASP 64 3HB ASP 64 -5.494 1.238 7.358 503 H LYS 65 H LYS 65 -3.912 -1.854 7.445 504 HA LYS 65 HA LYS 65 -5.431 -3.102 5.247 505 1HB LYS 65 2HB LYS 65 -4.744 -5.244 6.268 506 2HB LYS 65 3HB LYS 65 -3.356 -4.240 5.850 507 1HG LYS 65 2HG LYS 65 -2.782 -3.890 8.037 508 2HG LYS 65 3HG LYS 65 -4.457 -3.836 8.578 509 1HD LYS 65 2HD LYS 65 -4.562 -6.336 8.213 510 2HD LYS 65 3HD LYS 65 -2.822 -6.301 7.935 511 1HE LYS 65 2HE LYS 65 -3.200 -6.854 10.265 512 2HE LYS 65 3HE LYS 65 -2.550 -5.217 10.190 513 1HZ LYS 65 1HZ LYS 65 -5.270 -4.924 9.967 514 2HZ LYS 65 1HZ LYS 65 -4.322 -4.593 11.339 515 3HZ LYS 65 3HZ LYS 65 -5.069 -6.108 11.166 516 H GLU 66 H GLU 66 -7.058 -4.749 5.897 517 HA GLU 66 HA GLU 66 -8.880 -3.602 7.850 518 1HB GLU 66 2HB GLU 66 -9.126 -6.026 6.045 519 2HB GLU 66 3HB GLU 66 -10.411 -5.412 7.084 520 1HG GLU 66 2HG GLU 66 -10.407 -3.279 5.894 521 2HG GLU 66 3HG GLU 66 -9.042 -3.801 4.911 522 H ASN 67 H ASN 67 -9.170 -4.296 9.891 523 HA ASN 67 HA ASN 67 -7.407 -5.972 11.224 524 1HB ASN 67 2HB ASN 67 -10.307 -5.539 11.980 525 2HB ASN 67 3HB ASN 67 -8.987 -5.988 13.059 526 1HD2 ASN 67 2HD2 ASN 67 -10.799 -3.463 12.814 527 2HD2 ASN 67 1HD2 ASN 67 -9.684 -2.184 12.856 528 H ASP 68 H ASP 68 -10.358 -6.759 9.503 529 HA ASP 68 HA ASP 68 -10.646 -9.426 10.443 530 1HB ASP 68 2HB ASP 68 -12.316 -7.871 9.158 531 2HB ASP 68 3HB ASP 68 -11.561 -8.550 7.721 532 H ALA 69 H ALA 69 -8.868 -7.973 7.762 533 HA ALA 69 HA ALA 69 -8.069 -10.582 6.723 534 1HB ALA 69 1HB ALA 69 -8.581 -8.675 5.191 535 2HB ALA 69 2HB ALA 69 -7.181 -7.823 5.843 536 3HB ALA 69 3HB ALA 69 -6.962 -9.335 4.963 537 H ASN 70 H ASN 70 -5.759 -11.042 6.355 538 HA ASN 70 HA ASN 70 -4.124 -10.137 8.650 539 1HB ASN 70 2HB ASN 70 -4.737 -12.563 8.568 540 2HB ASN 70 3HB ASN 70 -3.860 -12.688 7.046 541 1HD2 ASN 70 2HD2 ASN 70 -3.488 -12.392 10.532 542 2HD2 ASN 70 1HD2 ASN 70 -1.801 -12.565 10.549 543 H TRP 71 H TRP 71 -1.822 -9.955 8.302 544 HA TRP 71 HA TRP 71 -1.187 -8.512 5.913 545 1HB TRP 71 2HB TRP 71 0.263 -9.308 8.400 546 2HB TRP 71 3HB TRP 71 1.223 -8.836 6.997 547 HD1 TRP 71 HD1 TRP 71 -0.436 -7.379 9.890 548 HE1 TRP 71 HE1 TRP 71 -0.778 -4.841 9.599 549 HE3 TRP 71 HE3 TRP 71 0.484 -6.930 4.886 550 HZ2 TRP 71 HZ2 TRP 71 -0.681 -2.881 7.518 551 HZ3 TRP 71 HZ3 TRP 71 0.350 -4.715 3.775 552 HH2 TRP 71 HH2 TRP 71 -0.231 -2.694 5.085 553 H GLU 72 H GLU 72 -0.139 -11.650 7.240 554 HA GLU 72 HA GLU 72 1.605 -12.464 5.250 555 1HB GLU 72 2HB GLU 72 -0.392 -14.177 6.754 556 2HB GLU 72 3HB GLU 72 1.029 -14.774 5.898 557 1HG GLU 72 2HG GLU 72 1.279 -12.671 8.047 558 2HG GLU 72 3HG GLU 72 1.234 -14.384 8.453 559 H THR 73 H THR 73 -1.801 -11.999 5.072 560 HA THR 73 HA THR 73 -2.155 -13.660 2.701 561 HB THR 73 HB THR 73 -3.963 -11.992 4.435 562 HG1 THR 73 HG1 THR 73 -3.367 -14.261 4.812 563 1HG2 THR 73 1HG2 THR 73 -4.865 -11.420 2.343 564 2HG2 THR 73 2HG2 THR 73 -4.456 -12.981 1.632 565 3HG2 THR 73 3HG2 THR 73 -5.784 -12.857 2.786 566 H VAL 74 H VAL 74 -2.211 -10.247 3.625 567 HA VAL 74 HA VAL 74 -2.613 -9.331 0.922 568 HB VAL 74 HB VAL 74 -2.685 -8.237 3.608 569 1HG1 VAL 74 1HG1 VAL 74 -1.419 -6.528 1.448 570 2HG1 VAL 74 2HG1 VAL 74 -1.976 -5.951 3.018 571 3HG1 VAL 74 3HG1 VAL 74 -0.625 -7.079 2.924 572 1HG2 VAL 74 1HG2 VAL 74 -4.314 -6.756 2.555 573 2HG2 VAL 74 2HG2 VAL 74 -3.746 -7.229 0.954 574 3HG2 VAL 74 3HG2 VAL 74 -4.562 -8.405 1.984 575 H LEU 75 H LEU 75 0.123 -9.506 3.171 576 HA LEU 75 HA LEU 75 1.991 -7.946 1.896 577 1HB LEU 75 2HB LEU 75 2.039 -9.941 3.906 578 2HB LEU 75 3HB LEU 75 3.304 -10.351 2.750 579 HG LEU 75 HG LEU 75 2.936 -7.580 3.921 580 1HD1 LEU 75 1HD1 LEU 75 4.682 -9.899 4.784 581 2HD1 LEU 75 2HD1 LEU 75 5.036 -8.229 5.226 582 3HD1 LEU 75 3HD1 LEU 75 3.536 -8.983 5.763 583 1HD2 LEU 75 1HD2 LEU 75 4.214 -8.180 1.652 584 2HD2 LEU 75 2HD2 LEU 75 4.869 -6.995 2.781 585 3HD2 LEU 75 3HD2 LEU 75 5.492 -8.645 2.773 586 HA PRO 76 HA PRO 76 3.428 -11.920 -0.713 587 1HB PRO 76 2HB PRO 76 0.910 -13.142 -1.411 588 2HB PRO 76 3HB PRO 76 2.293 -13.869 -0.575 589 1HG PRO 76 2HG PRO 76 -0.199 -12.815 0.519 590 2HG PRO 76 3HG PRO 76 0.971 -13.927 1.239 591 1HD PRO 76 2HD PRO 76 0.651 -11.354 2.097 592 2HD PRO 76 3HD PRO 76 2.200 -12.219 2.206 593 H LYS 77 H LYS 77 0.309 -10.259 -1.091 594 HA LYS 77 HA LYS 77 0.594 -10.052 -3.969 595 1HB LYS 77 2HB LYS 77 -1.426 -9.176 -1.937 596 2HB LYS 77 3HB LYS 77 -1.420 -8.402 -3.524 597 1HG LYS 77 2HG LYS 77 -1.550 -10.636 -4.597 598 2HG LYS 77 3HG LYS 77 -1.615 -11.384 -3.001 599 1HD LYS 77 2HD LYS 77 -3.717 -10.308 -2.501 600 2HD LYS 77 3HD LYS 77 -3.614 -9.316 -3.955 601 1HE LYS 77 2HE LYS 77 -3.614 -12.329 -4.129 602 2HE LYS 77 3HE LYS 77 -5.123 -11.424 -4.035 603 1HZ LYS 77 1HZ LYS 77 -3.174 -10.450 -5.954 604 2HZ LYS 77 1HZ LYS 77 -4.863 -10.593 -6.089 605 3HZ LYS 77 3HZ LYS 77 -3.872 -11.954 -6.315 606 H VAL 78 H VAL 78 0.967 -7.952 -1.145 607 HA VAL 78 HA VAL 78 1.382 -5.512 -2.465 608 HB VAL 78 HB VAL 78 2.413 -6.540 0.182 609 1HG1 VAL 78 1HG1 VAL 78 2.637 -3.977 0.592 610 2HG1 VAL 78 2HG1 VAL 78 3.914 -4.793 -0.309 611 3HG1 VAL 78 3HG1 VAL 78 2.690 -3.859 -1.168 612 1HG2 VAL 78 1HG2 VAL 78 -0.120 -6.128 -0.394 613 2HG2 VAL 78 2HG2 VAL 78 0.534 -5.508 1.122 614 3HG2 VAL 78 3HG2 VAL 78 0.318 -4.426 -0.255 615 H GLU 79 H GLU 79 3.840 -7.827 -1.262 616 HA GLU 79 HA GLU 79 6.113 -6.486 -2.099 617 1HB GLU 79 2HB GLU 79 6.296 -8.450 -0.727 618 2HB GLU 79 3HB GLU 79 5.583 -9.460 -1.986 619 1HG GLU 79 2HG GLU 79 7.480 -9.181 -3.420 620 2HG GLU 79 3HG GLU 79 8.128 -7.881 -2.422 621 H ALA 80 H ALA 80 3.925 -8.486 -4.003 622 HA ALA 80 HA ALA 80 5.392 -8.934 -6.301 623 1HB ALA 80 1HB ALA 80 3.327 -9.227 -7.434 624 2HB ALA 80 2HB ALA 80 3.009 -9.681 -5.761 625 3HB ALA 80 3HB ALA 80 2.492 -8.106 -6.360 626 H VAL 81 H VAL 81 3.874 -5.968 -5.210 627 HA VAL 81 HA VAL 81 3.927 -4.488 -7.597 628 HB VAL 81 HB VAL 81 4.304 -3.406 -4.796 629 1HG1 VAL 81 1HG1 VAL 81 3.771 -1.352 -5.651 630 2HG1 VAL 81 2HG1 VAL 81 4.399 -2.045 -7.146 631 3HG1 VAL 81 3HG1 VAL 81 2.662 -2.024 -6.846 632 1HG2 VAL 81 1HG2 VAL 81 1.593 -3.427 -5.921 633 2HG2 VAL 81 2HG2 VAL 81 2.232 -5.046 -5.653 634 3HG2 VAL 81 3HG2 VAL 81 2.145 -3.905 -4.316 635 H PHE 82 H PHE 82 6.291 -4.352 -4.897 636 HA PHE 82 HA PHE 82 8.183 -2.904 -6.548 637 1HB PHE 82 2HB PHE 82 8.888 -4.115 -3.895 638 2HB PHE 82 3HB PHE 82 9.444 -2.605 -4.614 639 HD1 PHE 82 HD1 PHE 82 8.208 -0.558 -4.341 640 HD2 PHE 82 HD2 PHE 82 6.551 -4.296 -3.019 641 HE1 PHE 82 HE1 PHE 82 6.401 0.660 -3.160 642 HE2 PHE 82 HE2 PHE 82 4.747 -3.076 -1.838 643 HZ PHE 82 HZ PHE 82 4.671 -0.602 -1.912 644 H GLU 83 H GLU 83 7.312 -5.983 -6.745 645 HA GLU 83 HA GLU 83 9.847 -6.820 -7.849 646 1HB GLU 83 2HB GLU 83 9.777 -7.294 -5.247 647 2HB GLU 83 3HB GLU 83 8.783 -8.662 -5.740 648 1HG GLU 83 2HG GLU 83 11.533 -8.039 -6.858 649 2HG GLU 83 3HG GLU 83 11.206 -9.237 -5.605 650 H LEU 84 H LEU 84 8.448 -6.847 -9.703 651 HA LEU 84 HA LEU 84 6.197 -8.642 -9.840 652 1HB LEU 84 2HB LEU 84 7.655 -6.849 -11.737 653 2HB LEU 84 3HB LEU 84 6.660 -8.134 -12.416 654 HG LEU 84 HG LEU 84 5.606 -6.260 -10.296 655 1HD1 LEU 84 1HD1 LEU 84 5.190 -5.927 -13.273 656 2HD1 LEU 84 2HD1 LEU 84 4.751 -4.811 -11.980 657 3HD1 LEU 84 3HD1 LEU 84 6.447 -5.056 -12.394 658 1HD2 LEU 84 1HD2 LEU 84 4.422 -8.207 -12.280 659 2HD2 LEU 84 2HD2 LEU 84 4.203 -8.155 -10.531 660 3HD2 LEU 84 3HD2 LEU 84 3.444 -6.935 -11.550 661 H GLU 85 H GLU 85 8.138 -10.182 -8.855 662 HA GLU 85 HA GLU 85 9.375 -12.094 -9.133 663 1HB GLU 85 2HB GLU 85 7.053 -12.297 -10.787 664 2HB GLU 85 3HB GLU 85 8.402 -13.051 -11.636 665 1HG GLU 85 2HG GLU 85 7.322 -14.713 -10.210 666 2HG GLU 85 3HG GLU 85 8.926 -14.355 -9.571 667 H HIS 86 H HIS 86 10.603 -13.408 -11.053 668 HA HIS 86 HA HIS 86 12.640 -11.596 -11.921 669 1HB HIS 86 2HB HIS 86 13.051 -13.979 -11.267 670 2HB HIS 86 3HB HIS 86 12.238 -14.480 -12.749 671 HD1 HIS 86 HD1 HIS 86 13.390 -13.762 -15.032 672 HD2 HIS 86 HD2 HIS 86 15.688 -13.078 -11.622 673 HE1 HIS 86 HE1 HIS 86 15.753 -13.330 -15.835 674 H HIS 87 H HIS 87 9.901 -13.180 -13.465 675 HA HIS 87 HA HIS 87 10.682 -12.267 -16.119 676 1HB HIS 87 2HB HIS 87 9.436 -14.476 -15.491 677 2HB HIS 87 3HB HIS 87 8.001 -13.450 -15.442 678 HD1 HIS 87 HD1 HIS 87 7.240 -12.340 -17.669 679 HD2 HIS 87 HD2 HIS 87 10.505 -14.898 -18.093 680 HE1 HIS 87 HE1 HIS 87 7.519 -12.739 -20.152 681 H HIS 88 H HIS 88 10.511 -10.092 -16.361 682 HA HIS 88 HA HIS 88 8.625 -8.421 -15.085 683 1HB HIS 88 2HB HIS 88 10.728 -7.600 -16.112 684 2HB HIS 88 3HB HIS 88 10.067 -7.952 -17.710 685 HD1 HIS 88 HD1 HIS 88 7.967 -6.523 -18.465 686 HD2 HIS 88 HD2 HIS 88 9.783 -5.217 -14.950 687 HE1 HIS 88 HE1 HIS 88 7.068 -4.201 -18.018 688 H HIS 89 H HIS 89 6.874 -7.202 -16.114 689 HA HIS 89 HA HIS 89 5.061 -8.948 -17.492 690 1HB HIS 89 2HB HIS 89 4.298 -7.289 -15.823 691 2HB HIS 89 3HB HIS 89 4.809 -5.988 -16.898 692 HD1 HIS 89 HD1 HIS 89 2.845 -5.066 -18.132 693 HD2 HIS 89 HD2 HIS 89 2.486 -9.178 -17.553 694 HE1 HIS 89 HE1 HIS 89 0.676 -5.761 -19.244 695 H HIS 90 H HIS 90 5.611 -5.592 -18.448 696 HA HIS 90 HA HIS 90 5.584 -4.635 -20.538 697 1HB HIS 90 2HB HIS 90 7.571 -5.091 -21.812 698 2HB HIS 90 3HB HIS 90 7.990 -5.210 -20.107 699 HD1 HIS 90 HD1 HIS 90 8.549 -7.563 -19.168 700 HD2 HIS 90 HD2 HIS 90 7.623 -7.564 -23.232 701 HE1 HIS 90 HE1 HIS 90 9.210 -9.840 -20.052 702 H HIS 91 H HIS 91 6.385 -5.887 -23.030 703 HA HIS 91 HA HIS 91 4.745 -8.123 -23.638 704 1HB HIS 91 2HB HIS 91 3.030 -6.948 -25.006 705 2HB HIS 91 3HB HIS 91 2.885 -6.597 -23.286 706 HD1 HIS 91 HD1 HIS 91 5.123 -4.454 -23.038 707 HD2 HIS 91 HD2 HIS 91 2.260 -4.485 -26.068 708 HE1 HIS 91 HE1 HIS 91 4.978 -2.083 -23.910 Start of MODEL 10 1 1H MET 1 1HT MET 1 14.869 0.621 -4.596 2 2H MET 1 2HT MET 1 15.464 0.470 -3.011 3 3H MET 1 3HT MET 1 15.504 1.975 -3.798 4 HA MET 1 HA MET 1 13.718 1.889 -2.172 5 1HB MET 1 2HB MET 1 13.059 2.049 -5.112 6 2HB MET 1 3HB MET 1 11.818 2.325 -3.889 7 1HG MET 1 2HG MET 1 12.822 4.263 -3.100 8 2HG MET 1 3HG MET 1 14.434 3.761 -3.609 9 1HE MET 1 1HE MET 1 15.288 5.623 -4.670 10 2HE MET 1 2HE MET 1 15.008 5.971 -6.374 11 3HE MET 1 3HE MET 1 15.524 4.359 -5.884 12 H LYS 2 H LYS 2 13.147 0.139 -0.996 13 HA LYS 2 HA LYS 2 11.168 -1.674 -2.129 14 1HB LYS 2 2HB LYS 2 13.825 -2.623 -1.050 15 2HB LYS 2 3HB LYS 2 12.420 -3.675 -1.219 16 1HG LYS 2 2HG LYS 2 12.336 -2.876 -3.667 17 2HG LYS 2 3HG LYS 2 13.961 -2.250 -3.389 18 1HD LYS 2 2HD LYS 2 13.156 -5.132 -2.890 19 2HD LYS 2 3HD LYS 2 13.925 -4.565 -4.373 20 1HE LYS 2 2HE LYS 2 15.813 -5.195 -3.183 21 2HE LYS 2 3HE LYS 2 15.672 -3.522 -2.647 22 1HZ LYS 2 1HZ LYS 2 14.200 -4.501 -0.816 23 2HZ LYS 2 1HZ LYS 2 15.882 -4.708 -0.691 24 3HZ LYS 2 3HZ LYS 2 14.901 -5.988 -1.229 25 H ILE 3 H ILE 3 10.595 -3.344 -0.251 26 HA ILE 3 HA ILE 3 9.730 -1.694 1.950 27 HB ILE 3 HB ILE 3 9.392 -4.666 1.482 28 1HG1 ILE 3 2HG1 ILE 3 7.352 -2.474 1.048 29 2HG1 ILE 3 3HG1 ILE 3 8.433 -3.010 -0.240 30 1HG2 ILE 3 1HG2 ILE 3 7.474 -4.356 3.082 31 2HG2 ILE 3 2HG2 ILE 3 9.059 -4.132 3.823 32 3HG2 ILE 3 3HG2 ILE 3 8.073 -2.730 3.409 33 1HD1 ILE 3 1HD1 ILE 3 7.592 -5.263 -0.114 34 2HD1 ILE 3 2HD1 ILE 3 6.667 -4.890 1.342 35 3HD1 ILE 3 3HD1 ILE 3 6.203 -4.181 -0.203 36 H ILE 4 H ILE 4 11.156 -1.179 3.480 37 HA ILE 4 HA ILE 4 12.925 -3.307 4.536 38 HB ILE 4 HB ILE 4 13.400 -0.401 5.109 39 1HG1 ILE 4 2HG1 ILE 4 13.060 -0.543 2.652 40 2HG1 ILE 4 3HG1 ILE 4 14.733 -0.180 3.060 41 1HG2 ILE 4 1HG2 ILE 4 14.771 -2.031 6.264 42 2HG2 ILE 4 2HG2 ILE 4 15.134 -2.863 4.753 43 3HG2 ILE 4 3HG2 ILE 4 15.770 -1.244 5.043 44 1HD1 ILE 4 1HD1 ILE 4 13.663 -2.938 2.389 45 2HD1 ILE 4 2HD1 ILE 4 14.580 -1.907 1.292 46 3HD1 ILE 4 3HD1 ILE 4 15.341 -2.539 2.751 47 H SER 5 H SER 5 11.818 -0.209 5.889 48 HA SER 5 HA SER 5 11.330 -1.389 8.463 49 1HB SER 5 2HB SER 5 10.426 1.337 7.542 50 2HB SER 5 3HB SER 5 10.763 0.806 9.185 51 HG SER 5 HG SER 5 12.906 0.765 8.736 52 H ILE 6 H ILE 6 9.534 -2.406 9.076 53 HA ILE 6 HA ILE 6 7.111 -2.130 7.474 54 HB ILE 6 HB ILE 6 7.597 -4.138 9.650 55 1HG1 ILE 6 2HG1 ILE 6 8.294 -4.254 6.696 56 2HG1 ILE 6 3HG1 ILE 6 9.388 -4.463 8.063 57 1HG2 ILE 6 1HG2 ILE 6 5.255 -3.685 8.778 58 2HG2 ILE 6 2HG2 ILE 6 5.806 -4.273 7.210 59 3HG2 ILE 6 3HG2 ILE 6 5.801 -5.352 8.607 60 1HD1 ILE 6 1HD1 ILE 6 7.193 -6.332 7.140 61 2HD1 ILE 6 2HD1 ILE 6 8.920 -6.666 7.269 62 3HD1 ILE 6 3HD1 ILE 6 7.950 -6.471 8.727 63 H SER 7 H SER 7 7.770 -2.661 10.806 64 HA SER 7 HA SER 7 6.929 -1.781 12.759 65 1HB SER 7 2HB SER 7 7.544 0.398 11.436 66 2HB SER 7 3HB SER 7 5.799 0.555 11.246 67 HG SER 7 HG SER 7 5.929 1.394 13.170 68 H GLU 8 H GLU 8 5.142 -2.408 13.802 69 HA GLU 8 HA GLU 8 2.575 -2.393 12.357 70 1HB GLU 8 2HB GLU 8 2.240 -4.505 13.976 71 2HB GLU 8 3HB GLU 8 2.892 -4.665 12.351 72 1HG GLU 8 2HG GLU 8 4.681 -4.195 14.742 73 2HG GLU 8 3HG GLU 8 4.175 -5.815 14.274 74 H THR 9 H THR 9 1.011 -3.320 14.448 75 HA THR 9 HA THR 9 1.538 -1.557 16.718 76 HB THR 9 HB THR 9 -1.160 -1.111 16.193 77 HG1 THR 9 HG1 THR 9 -1.383 -1.116 14.117 78 1HG2 THR 9 1HG2 THR 9 -0.208 1.174 15.512 79 2HG2 THR 9 2HG2 THR 9 0.228 0.564 17.108 80 3HG2 THR 9 3HG2 THR 9 1.377 0.449 15.774 81 HA PRO 10 HA PRO 10 -0.355 -4.696 19.049 82 1HB PRO 10 2HB PRO 10 -2.044 -3.037 20.688 83 2HB PRO 10 3HB PRO 10 -0.477 -3.748 21.097 84 1HG PRO 10 2HG PRO 10 -1.015 -1.047 20.679 85 2HG PRO 10 3HG PRO 10 0.582 -1.801 20.766 86 1HD PRO 10 2HD PRO 10 -0.887 -0.823 18.402 87 2HD PRO 10 3HD PRO 10 0.849 -1.127 18.604 88 H ASN 11 H ASN 11 -2.367 -2.597 17.274 89 HA ASN 11 HA ASN 11 -4.724 -4.322 17.651 90 1HB ASN 11 2HB ASN 11 -5.803 -2.337 16.336 91 2HB ASN 11 3HB ASN 11 -5.455 -2.148 18.049 92 1HD2 ASN 11 2HD2 ASN 11 -5.257 -0.440 15.259 93 2HD2 ASN 11 1HD2 ASN 11 -3.874 0.494 15.573 94 H HIS 12 H HIS 12 -2.157 -3.699 15.557 95 HA HIS 12 HA HIS 12 -1.690 -4.205 13.362 96 1HB HIS 12 2HB HIS 12 -3.603 -6.429 14.106 97 2HB HIS 12 3HB HIS 12 -2.642 -6.416 12.624 98 HD1 HIS 12 HD1 HIS 12 -2.303 -6.591 16.368 99 HD2 HIS 12 HD2 HIS 12 0.111 -6.950 12.992 100 HE1 HIS 12 HE1 HIS 12 -0.058 -7.431 17.182 101 H ASN 13 H ASN 13 -2.493 -2.463 12.227 102 HA ASN 13 HA ASN 13 -4.892 -3.009 10.655 103 1HB ASN 13 2HB ASN 13 -4.577 -0.456 12.248 104 2HB ASN 13 3HB ASN 13 -5.903 -0.846 11.156 105 1HD2 ASN 13 2HD2 ASN 13 -6.861 -3.240 11.805 106 2HD2 ASN 13 1HD2 ASN 13 -7.192 -3.399 13.463 107 H THR 14 H THR 14 -2.134 -0.862 11.325 108 HA THR 14 HA THR 14 -1.720 -0.617 8.450 109 HB THR 14 HB THR 14 -3.220 1.308 9.295 110 HG1 THR 14 HG1 THR 14 -0.774 2.048 8.090 111 1HG2 THR 14 1HG2 THR 14 -2.272 3.030 10.550 112 2HG2 THR 14 2HG2 THR 14 -1.558 1.614 11.318 113 3HG2 THR 14 3HG2 THR 14 -0.623 2.554 10.152 114 H MET 15 H MET 15 0.325 -0.809 7.954 115 HA MET 15 HA MET 15 2.363 -0.348 10.054 116 1HB MET 15 2HB MET 15 3.761 -1.928 8.662 117 2HB MET 15 3HB MET 15 2.352 -2.662 9.427 118 1HG MET 15 2HG MET 15 1.270 -2.988 7.430 119 2HG MET 15 3HG MET 15 1.939 -1.525 6.708 120 1HE MET 15 1HE MET 15 2.891 -4.853 8.290 121 2HE MET 15 2HE MET 15 3.794 -5.691 7.032 122 3HE MET 15 3HE MET 15 2.083 -5.345 6.797 123 H LYS 16 H LYS 16 4.546 0.253 9.119 124 HA LYS 16 HA LYS 16 4.159 2.354 7.095 125 1HB LYS 16 2HB LYS 16 6.039 1.956 9.373 126 2HB LYS 16 3HB LYS 16 6.634 2.844 7.967 127 1HG LYS 16 2HG LYS 16 4.812 4.425 8.111 128 2HG LYS 16 3HG LYS 16 4.029 3.476 9.376 129 1HD LYS 16 2HD LYS 16 5.903 3.894 10.894 130 2HD LYS 16 3HD LYS 16 6.758 4.775 9.628 131 1HE LYS 16 2HE LYS 16 5.743 6.494 10.879 132 2HE LYS 16 3HE LYS 16 4.626 6.264 9.534 133 1HZ LYS 16 1HZ LYS 16 3.095 5.237 10.856 134 2HZ LYS 16 1HZ LYS 16 3.774 6.313 11.981 135 3HZ LYS 16 3HZ LYS 16 4.243 4.680 11.972 136 H ILE 17 H ILE 17 6.042 2.711 5.589 137 HA ILE 17 HA ILE 17 7.498 0.259 4.903 138 HB ILE 17 HB ILE 17 5.581 1.678 3.040 139 1HG1 ILE 17 2HG1 ILE 17 5.865 -1.223 3.893 140 2HG1 ILE 17 3HG1 ILE 17 4.656 -0.101 4.510 141 1HG2 ILE 17 1HG2 ILE 17 6.481 0.044 1.322 142 2HG2 ILE 17 2HG2 ILE 17 7.622 1.307 1.786 143 3HG2 ILE 17 3HG2 ILE 17 7.792 -0.318 2.447 144 1HD1 ILE 17 1HD1 ILE 17 3.969 0.234 2.051 145 2HD1 ILE 17 2HD1 ILE 17 4.923 -1.211 1.717 146 3HD1 ILE 17 3HD1 ILE 17 3.535 -1.303 2.799 147 H THR 18 H THR 18 9.509 1.021 5.099 148 HA THR 18 HA THR 18 10.218 3.678 4.086 149 HB THR 18 HB THR 18 11.697 1.554 5.642 150 HG1 THR 18 HG1 THR 18 11.250 2.850 7.219 151 1HG2 THR 18 1HG2 THR 18 12.782 3.879 4.094 152 2HG2 THR 18 2HG2 THR 18 13.497 3.493 5.659 153 3HG2 THR 18 3HG2 THR 18 13.492 2.288 4.374 154 H LEU 19 H LEU 19 11.706 4.014 2.383 155 HA LEU 19 HA LEU 19 11.902 1.740 0.520 156 1HB LEU 19 2HB LEU 19 12.467 4.612 -0.176 157 2HB LEU 19 3HB LEU 19 11.989 3.291 -1.241 158 HG LEU 19 HG LEU 19 10.262 4.604 0.880 159 1HD1 LEU 19 1HD1 LEU 19 8.868 5.023 -1.287 160 2HD1 LEU 19 2HD1 LEU 19 10.264 6.052 -0.966 161 3HD1 LEU 19 3HD1 LEU 19 10.393 4.730 -2.124 162 1HD2 LEU 19 1HD2 LEU 19 9.734 2.239 0.773 163 2HD2 LEU 19 2HD2 LEU 19 8.477 3.115 -0.094 164 3HD2 LEU 19 3HD2 LEU 19 9.742 2.270 -0.989 165 H SER 20 H SER 20 13.810 3.489 2.666 166 HA SER 20 HA SER 20 16.038 3.041 3.210 167 1HB SER 20 2HB SER 20 17.408 1.667 1.966 168 2HB SER 20 3HB SER 20 15.835 1.095 1.427 169 HG SER 20 HG SER 20 16.113 2.081 -0.461 170 H GLU 21 H GLU 21 14.657 5.113 1.072 171 HA GLU 21 HA GLU 21 17.042 6.831 1.097 172 1HB GLU 21 2HB GLU 21 15.443 6.170 -1.389 173 2HB GLU 21 3HB GLU 21 16.650 7.453 -1.283 174 1HG GLU 21 2HG GLU 21 18.366 5.791 -0.669 175 2HG GLU 21 3HG GLU 21 17.162 4.508 -0.781 176 H SER 22 H SER 22 16.581 9.066 0.801 177 HA SER 22 HA SER 22 13.798 9.933 0.783 178 1HB SER 22 2HB SER 22 15.592 10.772 3.059 179 2HB SER 22 3HB SER 22 13.863 11.055 2.879 180 HG SER 22 HG SER 22 13.750 8.644 2.854 181 H ARG 23 H ARG 23 13.847 12.469 1.113 182 HA ARG 23 HA ARG 23 16.204 13.855 0.294 183 1HB ARG 23 2HB ARG 23 15.372 12.629 -1.836 184 2HB ARG 23 3HB ARG 23 14.059 13.809 -1.819 185 1HG ARG 23 2HG ARG 23 15.987 15.569 -1.543 186 2HG ARG 23 3HG ARG 23 17.013 14.281 -2.174 187 1HD ARG 23 2HD ARG 23 14.571 15.469 -3.518 188 2HD ARG 23 3HD ARG 23 16.246 15.658 -4.028 189 HE ARG 23 HE ARG 23 15.481 12.897 -3.896 190 1HH1 ARG 23 1HH2 ARG 23 15.501 15.787 -5.800 191 2HH1 ARG 23 2HH2 ARG 23 15.179 14.970 -7.293 192 1HH2 ARG 23 1HH1 ARG 23 14.957 11.830 -5.835 193 2HH2 ARG 23 2HH1 ARG 23 14.875 12.731 -7.311 194 H GLU 24 H GLU 24 14.213 14.087 2.336 195 HA GLU 24 HA GLU 24 12.652 15.560 3.237 196 1HB GLU 24 2HB GLU 24 14.928 17.172 2.134 197 2HB GLU 24 3HB GLU 24 13.560 17.995 2.882 198 1HG GLU 24 2HG GLU 24 15.207 17.599 4.599 199 2HG GLU 24 3HG GLU 24 13.849 16.515 4.888 200 H GLY 25 H GLY 25 11.890 14.634 0.651 201 1HA GLY 25 1HA GLY 25 9.690 16.109 0.032 202 2HA GLY 25 2HA GLY 25 10.966 16.870 -0.916 203 H MET 26 H MET 26 9.936 13.539 -0.118 204 HA MET 26 HA MET 26 10.624 12.673 -2.826 205 1HB MET 26 2HB MET 26 10.968 11.418 -0.465 206 2HB MET 26 3HB MET 26 9.375 10.793 -0.891 207 1HG MET 26 2HG MET 26 10.489 10.388 -3.245 208 2HG MET 26 3HG MET 26 11.988 10.437 -2.317 209 1HE MET 26 1HE MET 26 13.023 8.523 -1.841 210 2HE MET 26 2HE MET 26 12.281 7.795 -3.264 211 3HE MET 26 3HE MET 26 12.350 6.891 -1.755 212 H THR 27 H THR 27 8.264 14.429 -2.049 213 HA THR 27 HA THR 27 6.204 14.778 -3.032 214 HB THR 27 HB THR 27 5.894 11.968 -3.978 215 HG1 THR 27 HG1 THR 27 7.308 13.375 -5.756 216 1HG2 THR 27 1HG2 THR 27 5.455 14.714 -5.184 217 2HG2 THR 27 2HG2 THR 27 5.068 13.194 -5.990 218 3HG2 THR 27 3HG2 THR 27 4.213 13.656 -4.519 219 H SER 28 H SER 28 3.957 14.194 -2.586 220 HA SER 28 HA SER 28 3.469 12.143 -0.576 221 1HB SER 28 2HB SER 28 2.727 13.596 1.146 222 2HB SER 28 3HB SER 28 4.280 14.242 0.624 223 HG SER 28 HG SER 28 2.512 15.339 -0.941 224 H ASP 29 H ASP 29 1.438 11.351 -0.742 225 HA ASP 29 HA ASP 29 -0.769 12.936 -1.694 226 1HB ASP 29 2HB ASP 29 0.704 11.129 -3.543 227 2HB ASP 29 3HB ASP 29 -1.057 11.095 -3.616 228 H THR 30 H THR 30 -2.727 11.990 -1.271 229 HA THR 30 HA THR 30 -2.627 9.432 0.196 230 HB THR 30 HB THR 30 -3.786 10.583 1.740 231 HG1 THR 30 HG1 THR 30 -5.998 11.249 0.410 232 1HG2 THR 30 1HG2 THR 30 -4.679 12.859 1.337 233 2HG2 THR 30 2HG2 THR 30 -3.007 12.710 0.798 234 3HG2 THR 30 3HG2 THR 30 -4.322 12.687 -0.380 235 H TYR 31 H TYR 31 -3.292 7.716 -0.892 236 HA TYR 31 HA TYR 31 -5.220 8.094 -3.098 237 1HB TYR 31 2HB TYR 31 -3.296 5.815 -2.619 238 2HB TYR 31 3HB TYR 31 -4.342 6.023 -4.018 239 HD1 TYR 31 HD1 TYR 31 -3.888 7.783 -5.689 240 HD2 TYR 31 HD2 TYR 31 -1.324 7.198 -2.293 241 HE1 TYR 31 HE1 TYR 31 -2.140 9.171 -6.768 242 HE2 TYR 31 HE2 TYR 31 0.425 8.585 -3.368 243 HH TYR 31 HH TYR 31 1.041 9.641 -5.232 244 H THR 32 H THR 32 -7.219 7.654 -2.481 245 HA THR 32 HA THR 32 -7.676 5.337 -0.694 246 HB THR 32 HB THR 32 -9.706 6.502 0.070 247 HG1 THR 32 HG1 THR 32 -10.274 8.405 -0.758 248 1HG2 THR 32 1HG2 THR 32 -7.282 6.934 0.999 249 2HG2 THR 32 2HG2 THR 32 -7.507 8.534 0.294 250 3HG2 THR 32 3HG2 THR 32 -8.617 7.955 1.533 251 H LYS 33 H LYS 33 -8.149 6.666 -3.768 252 HA LYS 33 HA LYS 33 -9.814 4.430 -4.585 253 1HB LYS 33 2HB LYS 33 -11.431 6.075 -5.737 254 2HB LYS 33 3HB LYS 33 -11.616 5.853 -3.996 255 1HG LYS 33 2HG LYS 33 -10.567 7.914 -3.497 256 2HG LYS 33 3HG LYS 33 -9.852 8.041 -5.103 257 1HD LYS 33 2HD LYS 33 -12.120 8.316 -6.071 258 2HD LYS 33 3HD LYS 33 -12.807 8.244 -4.448 259 1HE LYS 33 2HE LYS 33 -11.125 10.188 -3.928 260 2HE LYS 33 3HE LYS 33 -11.104 10.401 -5.679 261 1HZ LYS 33 1HZ LYS 33 -12.903 11.661 -5.275 262 2HZ LYS 33 1HZ LYS 33 -13.221 10.932 -3.772 263 3HZ LYS 33 3HZ LYS 33 -13.722 10.178 -5.208 264 H VAL 34 H VAL 34 -7.400 4.499 -5.400 265 HA VAL 34 HA VAL 34 -5.829 5.046 -7.053 266 HB VAL 34 HB VAL 34 -8.195 4.203 -8.737 267 1HG1 VAL 34 1HG1 VAL 34 -5.185 4.007 -9.037 268 2HG1 VAL 34 2HG1 VAL 34 -6.315 3.110 -10.050 269 3HG1 VAL 34 3HG1 VAL 34 -6.310 4.873 -10.083 270 1HG2 VAL 34 1HG2 VAL 34 -8.149 2.527 -7.105 271 2HG2 VAL 34 2HG2 VAL 34 -7.014 1.888 -8.294 272 3HG2 VAL 34 3HG2 VAL 34 -6.413 2.692 -6.839 273 H ASP 35 H ASP 35 -5.543 7.294 -6.974 274 HA ASP 35 HA ASP 35 -7.355 9.041 -8.407 275 1HB ASP 35 2HB ASP 35 -4.707 9.506 -7.017 276 2HB ASP 35 3HB ASP 35 -5.606 10.782 -7.838 277 H ASP 36 H ASP 36 -4.022 9.754 -8.836 278 HA ASP 36 HA ASP 36 -3.534 8.461 -11.302 279 1HB ASP 36 2HB ASP 36 -5.443 10.164 -11.845 280 2HB ASP 36 3HB ASP 36 -4.176 11.376 -11.711 281 H SER 37 H SER 37 -1.516 8.204 -10.305 282 HA SER 37 HA SER 37 0.524 9.919 -10.976 283 1HB SER 37 2HB SER 37 0.997 10.745 -8.487 284 2HB SER 37 3HB SER 37 0.015 11.687 -9.601 285 HG SER 37 HG SER 37 -1.289 11.524 -7.908 286 H GLN 38 H GLN 38 -0.654 7.835 -8.374 287 HA GLN 38 HA GLN 38 1.913 6.835 -7.634 288 1HB GLN 38 2HB GLN 38 0.595 5.049 -6.487 289 2HB GLN 38 3HB GLN 38 0.058 6.676 -6.074 290 1HG GLN 38 2HG GLN 38 -1.696 6.439 -7.896 291 2HG GLN 38 3HG GLN 38 -1.242 4.738 -7.999 292 1HE2 GLN 38 2HE2 GLN 38 -3.846 5.195 -7.240 293 2HE2 GLN 38 1HE2 GLN 38 -4.047 4.924 -5.578 294 HA PRO 39 HA PRO 39 2.839 4.067 -10.906 295 1HB PRO 39 2HB PRO 39 3.577 1.865 -9.204 296 2HB PRO 39 3HB PRO 39 4.638 2.976 -10.076 297 1HG PRO 39 2HG PRO 39 4.036 2.882 -7.277 298 2HG PRO 39 3HG PRO 39 5.200 3.903 -8.126 299 1HD PRO 39 2HD PRO 39 2.779 4.738 -6.934 300 2HD PRO 39 3HD PRO 39 3.819 5.701 -7.997 301 H ALA 40 H ALA 40 1.684 2.627 -12.120 302 HA ALA 40 HA ALA 40 -0.883 1.850 -11.540 303 1HB ALA 40 1HB ALA 40 -0.587 0.062 -13.251 304 2HB ALA 40 2HB ALA 40 0.039 1.622 -13.783 305 3HB ALA 40 3HB ALA 40 1.150 0.369 -13.230 306 H PHE 41 H PHE 41 2.127 0.219 -10.782 307 HA PHE 41 HA PHE 41 1.181 -2.225 -9.840 308 1HB PHE 41 2HB PHE 41 3.487 -0.709 -8.612 309 2HB PHE 41 3HB PHE 41 3.280 -2.456 -8.727 310 HD1 PHE 41 HD1 PHE 41 4.977 0.248 -10.110 311 HD2 PHE 41 HD2 PHE 41 2.808 -3.261 -11.304 312 HE1 PHE 41 HE1 PHE 41 6.145 0.272 -12.296 313 HE2 PHE 41 HE2 PHE 41 3.980 -3.247 -13.489 314 HZ PHE 41 HZ PHE 41 5.648 -1.475 -13.983 315 H ILE 42 H ILE 42 1.206 0.942 -8.322 316 HA ILE 42 HA ILE 42 0.530 -0.024 -5.690 317 HB ILE 42 HB ILE 42 0.769 2.673 -6.986 318 1HG1 ILE 42 2HG1 ILE 42 2.668 1.296 -5.896 319 2HG1 ILE 42 3HG1 ILE 42 2.504 2.984 -5.414 320 1HG2 ILE 42 1HG2 ILE 42 -1.232 2.989 -5.714 321 2HG2 ILE 42 2HG2 ILE 42 -0.593 2.063 -4.357 322 3HG2 ILE 42 3HG2 ILE 42 0.085 3.643 -4.741 323 1HD1 ILE 42 1HD1 ILE 42 0.938 1.028 -3.828 324 2HD1 ILE 42 2HD1 ILE 42 2.690 0.955 -3.634 325 3HD1 ILE 42 3HD1 ILE 42 1.829 2.454 -3.299 326 H ASN 43 H ASN 43 -1.225 0.758 -8.583 327 HA ASN 43 HA ASN 43 -3.745 1.364 -7.419 328 1HB ASN 43 2HB ASN 43 -3.075 0.132 -10.110 329 2HB ASN 43 3HB ASN 43 -4.656 0.737 -9.640 330 1HD2 ASN 43 2HD2 ASN 43 -3.080 2.938 -8.051 331 2HD2 ASN 43 1HD2 ASN 43 -2.706 4.072 -9.256 332 H ASP 44 H ASP 44 -2.044 -1.574 -8.287 333 HA ASP 44 HA ASP 44 -4.131 -3.438 -7.976 334 1HB ASP 44 2HB ASP 44 -1.238 -3.918 -7.220 335 2HB ASP 44 3HB ASP 44 -2.421 -5.110 -7.741 336 H ILE 45 H ILE 45 -1.685 -2.288 -5.668 337 HA ILE 45 HA ILE 45 -2.390 -3.668 -3.390 338 HB ILE 45 HB ILE 45 -1.477 -0.795 -3.654 339 1HG1 ILE 45 2HG1 ILE 45 0.003 -3.420 -3.288 340 2HG1 ILE 45 3HG1 ILE 45 0.055 -2.367 -4.700 341 1HG2 ILE 45 1HG2 ILE 45 -0.761 -0.964 -1.345 342 2HG2 ILE 45 2HG2 ILE 45 -2.476 -1.353 -1.418 343 3HG2 ILE 45 3HG2 ILE 45 -1.284 -2.645 -1.255 344 1HD1 ILE 45 1HD1 ILE 45 1.653 -2.234 -2.315 345 2HD1 ILE 45 2HD1 ILE 45 1.765 -1.243 -3.771 346 3HD1 ILE 45 3HD1 ILE 45 0.705 -0.753 -2.456 347 H LEU 46 H LEU 46 -3.695 -0.524 -4.458 348 HA LEU 46 HA LEU 46 -5.570 -0.263 -2.349 349 1HB LEU 46 2HB LEU 46 -5.556 0.916 -5.139 350 2HB LEU 46 3HB LEU 46 -6.650 1.417 -3.849 351 HG LEU 46 HG LEU 46 -3.707 1.362 -3.283 352 1HD1 LEU 46 1HD1 LEU 46 -3.530 3.692 -4.124 353 2HD1 LEU 46 2HD1 LEU 46 -3.833 2.531 -5.418 354 3HD1 LEU 46 3HD1 LEU 46 -5.146 3.543 -4.817 355 1HD2 LEU 46 1HD2 LEU 46 -6.024 3.140 -2.446 356 2HD2 LEU 46 2HD2 LEU 46 -5.285 1.866 -1.474 357 3HD2 LEU 46 3HD2 LEU 46 -4.363 3.313 -1.874 358 H LYS 47 H LYS 47 -5.693 -1.773 -5.524 359 HA LYS 47 HA LYS 47 -8.522 -2.358 -5.346 360 1HB LYS 47 2HB LYS 47 -6.349 -2.914 -7.340 361 2HB LYS 47 3HB LYS 47 -7.884 -3.775 -7.443 362 1HG LYS 47 2HG LYS 47 -9.107 -1.669 -7.552 363 2HG LYS 47 3HG LYS 47 -7.615 -0.754 -7.338 364 1HD LYS 47 2HD LYS 47 -6.742 -1.651 -9.450 365 2HD LYS 47 3HD LYS 47 -8.206 -2.613 -9.664 366 1HE LYS 47 2HE LYS 47 -9.401 -0.270 -9.373 367 2HE LYS 47 3HE LYS 47 -7.838 0.354 -9.899 368 1HZ LYS 47 1HZ LYS 47 -7.988 -1.163 -11.824 369 2HZ LYS 47 1HZ LYS 47 -9.217 0.009 -11.797 370 3HZ LYS 47 3HZ LYS 47 -9.559 -1.591 -11.338 371 H VAL 48 H VAL 48 -5.786 -3.733 -3.978 372 HA VAL 48 HA VAL 48 -6.534 -6.510 -4.213 373 HB VAL 48 HB VAL 48 -4.510 -5.004 -2.564 374 1HG1 VAL 48 1HG1 VAL 48 -5.405 -7.876 -2.232 375 2HG1 VAL 48 2HG1 VAL 48 -3.817 -7.312 -1.714 376 3HG1 VAL 48 3HG1 VAL 48 -5.274 -6.634 -0.988 377 1HG2 VAL 48 1HG2 VAL 48 -4.367 -5.972 -5.067 378 2HG2 VAL 48 2HG2 VAL 48 -2.975 -5.967 -3.985 379 3HG2 VAL 48 3HG2 VAL 48 -3.930 -7.436 -4.188 380 H GLU 49 H GLU 49 -8.339 -7.230 -3.330 381 HA GLU 49 HA GLU 49 -9.918 -6.015 -1.414 382 1HB GLU 49 2HB GLU 49 -9.636 -8.823 -2.396 383 2HB GLU 49 3HB GLU 49 -10.618 -8.537 -0.959 384 1HG GLU 49 2HG GLU 49 -11.891 -6.799 -2.230 385 2HG GLU 49 3HG GLU 49 -10.970 -7.224 -3.671 386 H GLY 50 H GLY 50 -8.992 -5.266 0.431 387 1HA GLY 50 1HA GLY 50 -8.773 -6.664 2.720 388 2HA GLY 50 2HA GLY 50 -7.186 -6.917 1.996 389 H VAL 51 H VAL 51 -6.770 -4.461 0.781 390 HA VAL 51 HA VAL 51 -6.001 -2.845 3.045 391 HB VAL 51 HB VAL 51 -5.792 -2.222 0.089 392 1HG1 VAL 51 1HG1 VAL 51 -5.518 -0.261 1.556 393 2HG1 VAL 51 2HG1 VAL 51 -4.308 -1.129 2.501 394 3HG1 VAL 51 3HG1 VAL 51 -3.979 -0.708 0.823 395 1HG2 VAL 51 1HG2 VAL 51 -4.672 -4.362 0.781 396 2HG2 VAL 51 2HG2 VAL 51 -3.545 -3.136 0.203 397 3HG2 VAL 51 3HG2 VAL 51 -3.713 -3.435 1.933 398 H LYS 52 H LYS 52 -6.693 -0.723 3.512 399 HA LYS 52 HA LYS 52 -9.388 -0.112 2.474 400 1HB LYS 52 2HB LYS 52 -9.460 -0.335 4.847 401 2HB LYS 52 3HB LYS 52 -7.997 0.624 5.057 402 1HG LYS 52 2HG LYS 52 -9.087 2.636 4.638 403 2HG LYS 52 3HG LYS 52 -10.343 1.871 3.670 404 1HD LYS 52 2HD LYS 52 -11.249 2.631 5.831 405 2HD LYS 52 3HD LYS 52 -11.314 0.874 5.712 406 1HE LYS 52 2HE LYS 52 -10.471 1.635 7.929 407 2HE LYS 52 3HE LYS 52 -9.265 0.687 7.058 408 1HZ LYS 52 1HZ LYS 52 -7.948 2.475 6.745 409 2HZ LYS 52 1HZ LYS 52 -8.748 3.055 8.128 410 3HZ LYS 52 3HZ LYS 52 -9.244 3.559 6.584 411 H SER 53 H SER 53 -6.134 1.219 2.925 412 HA SER 53 HA SER 53 -6.404 3.023 0.774 413 1HB SER 53 2HB SER 53 -7.788 4.506 1.858 414 2HB SER 53 3HB SER 53 -7.205 4.051 3.455 415 HG SER 53 HG SER 53 -5.757 5.565 3.324 416 H ILE 54 H ILE 54 -4.620 4.809 0.913 417 HA ILE 54 HA ILE 54 -2.302 3.930 2.483 418 HB ILE 54 HB ILE 54 -2.124 4.391 -0.503 419 1HG1 ILE 54 2HG1 ILE 54 -1.984 1.754 1.002 420 2HG1 ILE 54 3HG1 ILE 54 -3.396 2.303 0.100 421 1HG2 ILE 54 1HG2 ILE 54 -0.150 3.337 1.552 422 2HG2 ILE 54 2HG2 ILE 54 0.147 3.432 -0.185 423 3HG2 ILE 54 3HG2 ILE 54 -0.077 4.906 0.751 424 1HD1 ILE 54 1HD1 ILE 54 -0.704 1.471 -0.932 425 2HD1 ILE 54 2HD1 ILE 54 -2.309 1.019 -1.509 426 3HD1 ILE 54 3HD1 ILE 54 -1.670 2.620 -1.859 427 H PHE 55 H PHE 55 -0.706 5.537 2.731 428 HA PHE 55 HA PHE 55 -1.392 8.232 1.766 429 1HB PHE 55 2HB PHE 55 -2.356 8.213 3.954 430 2HB PHE 55 3HB PHE 55 -0.948 7.403 4.638 431 HD1 PHE 55 HD1 PHE 55 -1.438 10.423 2.436 432 HD2 PHE 55 HD2 PHE 55 0.271 8.808 6.032 433 HE1 PHE 55 HE1 PHE 55 -0.400 12.623 2.935 434 HE2 PHE 55 HE2 PHE 55 1.308 11.003 6.531 435 HZ PHE 55 HZ PHE 55 0.976 12.914 4.981 436 H HIS 56 H HIS 56 0.310 8.713 0.552 437 HA HIS 56 HA HIS 56 3.007 7.885 1.362 438 1HB HIS 56 2HB HIS 56 2.325 7.452 -0.958 439 2HB HIS 56 3HB HIS 56 1.996 9.169 -1.189 440 HD1 HIS 56 HD1 HIS 56 3.856 9.267 -3.046 441 HD2 HIS 56 HD2 HIS 56 5.272 8.252 0.741 442 HE1 HIS 56 HE1 HIS 56 6.375 9.505 -3.134 443 H VAL 57 H VAL 57 4.480 9.256 2.138 444 HA VAL 57 HA VAL 57 4.388 12.100 1.663 445 HB VAL 57 HB VAL 57 2.680 11.706 3.500 446 1HG1 VAL 57 1HG1 VAL 57 4.200 9.884 4.547 447 2HG1 VAL 57 2HG1 VAL 57 5.092 11.228 5.259 448 3HG1 VAL 57 3HG1 VAL 57 3.386 10.992 5.648 449 1HG2 VAL 57 1HG2 VAL 57 4.949 13.299 4.650 450 2HG2 VAL 57 2HG2 VAL 57 4.271 13.804 3.102 451 3HG2 VAL 57 3HG2 VAL 57 3.240 13.720 4.528 452 H MET 58 H MET 58 6.096 13.180 3.171 453 HA MET 58 HA MET 58 8.405 13.374 3.306 454 1HB MET 58 2HB MET 58 7.602 12.785 5.571 455 2HB MET 58 3HB MET 58 7.856 11.079 5.207 456 1HG MET 58 2HG MET 58 10.186 11.300 5.159 457 2HG MET 58 3HG MET 58 10.112 13.032 4.839 458 1HE MET 58 1HE MET 58 11.750 13.704 7.963 459 2HE MET 58 2HE MET 58 11.825 13.435 6.223 460 3HE MET 58 3HE MET 58 12.148 12.102 7.327 461 H ASP 59 H ASP 59 8.850 10.065 4.177 462 HA ASP 59 HA ASP 59 9.843 9.367 1.499 463 1HB ASP 59 2HB ASP 59 11.968 8.561 2.417 464 2HB ASP 59 3HB ASP 59 11.769 10.280 2.737 465 H PHE 60 H PHE 60 7.744 8.585 3.734 466 HA PHE 60 HA PHE 60 8.168 5.677 3.413 467 1HB PHE 60 2HB PHE 60 7.366 5.277 5.639 468 2HB PHE 60 3HB PHE 60 8.633 6.500 5.746 469 HD1 PHE 60 HD1 PHE 60 8.110 8.820 6.303 470 HD2 PHE 60 HD2 PHE 60 4.994 5.889 5.902 471 HE1 PHE 60 HE1 PHE 60 6.501 10.386 7.348 472 HE2 PHE 60 HE2 PHE 60 3.388 7.453 6.952 473 HZ PHE 60 HZ PHE 60 4.135 9.703 7.678 474 H ILE 61 H ILE 61 6.077 4.461 3.911 475 HA ILE 61 HA ILE 61 3.716 5.935 2.934 476 HB ILE 61 HB ILE 61 4.207 3.136 1.966 477 1HG1 ILE 61 2HG1 ILE 61 5.390 5.659 0.749 478 2HG1 ILE 61 3HG1 ILE 61 6.303 4.317 1.437 479 1HG2 ILE 61 1HG2 ILE 61 2.735 3.797 0.218 480 2HG2 ILE 61 2HG2 ILE 61 2.054 4.536 1.668 481 3HG2 ILE 61 3HG2 ILE 61 2.995 5.512 0.540 482 1HD1 ILE 61 1HD1 ILE 61 6.344 3.835 -0.856 483 2HD1 ILE 61 2HD1 ILE 61 4.990 2.858 -0.291 484 3HD1 ILE 61 3HD1 ILE 61 4.691 4.395 -1.105 485 H SER 62 H SER 62 1.888 5.466 4.013 486 HA SER 62 HA SER 62 2.015 3.349 6.064 487 1HB SER 62 2HB SER 62 1.581 5.765 6.731 488 2HB SER 62 3HB SER 62 0.023 5.613 5.921 489 HG SER 62 HG SER 62 -0.257 5.051 8.056 490 H VAL 63 H VAL 63 1.146 1.510 5.384 491 HA VAL 63 HA VAL 63 -1.187 1.562 3.588 492 HB VAL 63 HB VAL 63 0.463 -0.834 4.424 493 1HG1 VAL 63 1HG1 VAL 63 -1.590 -1.527 3.443 494 2HG1 VAL 63 2HG1 VAL 63 -1.532 -0.253 2.227 495 3HG1 VAL 63 3HG1 VAL 63 -0.409 -1.610 2.136 496 1HG2 VAL 63 1HG2 VAL 63 0.866 1.174 2.195 497 2HG2 VAL 63 2HG2 VAL 63 2.037 0.627 3.395 498 3HG2 VAL 63 3HG2 VAL 63 1.518 -0.462 2.110 499 H ASP 64 H ASP 64 -3.107 1.514 4.554 500 HA ASP 64 HA ASP 64 -3.411 0.052 7.106 501 1HB ASP 64 2HB ASP 64 -5.526 1.445 7.312 502 2HB ASP 64 3HB ASP 64 -4.014 2.338 7.404 503 H LYS 65 H LYS 65 -4.940 -1.515 7.340 504 HA LYS 65 HA LYS 65 -6.684 -2.118 5.030 505 1HB LYS 65 2HB LYS 65 -6.217 -4.521 5.328 506 2HB LYS 65 3HB LYS 65 -4.761 -3.629 4.895 507 1HG LYS 65 2HG LYS 65 -3.784 -3.961 6.939 508 2HG LYS 65 3HG LYS 65 -5.320 -3.881 7.803 509 1HD LYS 65 2HD LYS 65 -5.896 -6.133 7.100 510 2HD LYS 65 3HD LYS 65 -4.467 -6.221 6.071 511 1HE LYS 65 2HE LYS 65 -4.479 -7.251 8.537 512 2HE LYS 65 3HE LYS 65 -3.032 -6.519 7.850 513 1HZ LYS 65 1HZ LYS 65 -3.388 -5.629 10.020 514 2HZ LYS 65 1HZ LYS 65 -4.998 -5.227 9.661 515 3HZ LYS 65 3HZ LYS 65 -3.724 -4.402 8.896 516 H GLU 66 H GLU 66 -8.037 -4.248 5.920 517 HA GLU 66 HA GLU 66 -9.493 -3.169 8.238 518 1HB GLU 66 2HB GLU 66 -10.285 -5.279 6.215 519 2HB GLU 66 3HB GLU 66 -11.319 -4.648 7.497 520 1HG GLU 66 2HG GLU 66 -10.024 -2.740 5.562 521 2HG GLU 66 3HG GLU 66 -11.480 -3.612 5.082 522 H ASN 67 H ASN 67 -10.739 -5.303 9.275 523 HA ASN 67 HA ASN 67 -8.571 -6.706 10.627 524 1HB ASN 67 2HB ASN 67 -11.542 -6.484 11.094 525 2HB ASN 67 3HB ASN 67 -10.540 -7.620 11.996 526 1HD2 ASN 67 2HD2 ASN 67 -10.040 -6.712 13.996 527 2HD2 ASN 67 1HD2 ASN 67 -9.616 -5.088 14.247 528 H ASP 68 H ASP 68 -11.494 -7.538 8.779 529 HA ASP 68 HA ASP 68 -11.404 -10.291 8.851 530 1HB ASP 68 2HB ASP 68 -12.505 -10.234 6.626 531 2HB ASP 68 3HB ASP 68 -13.220 -9.085 7.755 532 H ALA 69 H ALA 69 -9.425 -8.086 6.964 533 HA ALA 69 HA ALA 69 -8.148 -10.242 5.484 534 1HB ALA 69 1HB ALA 69 -8.684 -7.834 4.648 535 2HB ALA 69 2HB ALA 69 -7.215 -7.389 5.518 536 3HB ALA 69 3HB ALA 69 -7.139 -8.565 4.207 537 H ASN 70 H ASN 70 -5.693 -10.183 5.399 538 HA ASN 70 HA ASN 70 -4.532 -9.642 8.056 539 1HB ASN 70 2HB ASN 70 -4.480 -12.224 6.507 540 2HB ASN 70 3HB ASN 70 -3.221 -11.838 7.674 541 1HD2 ASN 70 2HD2 ASN 70 -5.002 -14.047 8.075 542 2HD2 ASN 70 1HD2 ASN 70 -5.987 -13.697 9.412 543 H TRP 71 H TRP 71 -2.060 -9.979 7.919 544 HA TRP 71 HA TRP 71 -1.110 -8.307 5.737 545 1HB TRP 71 2HB TRP 71 0.094 -9.342 8.294 546 2HB TRP 71 3HB TRP 71 1.097 -8.580 7.059 547 HD1 TRP 71 HD1 TRP 71 -0.664 -7.686 10.053 548 HE1 TRP 71 HE1 TRP 71 -1.297 -5.186 10.102 549 HE3 TRP 71 HE3 TRP 71 0.031 -6.510 5.132 550 HZ2 TRP 71 HZ2 TRP 71 -1.489 -2.984 8.285 551 HZ3 TRP 71 HZ3 TRP 71 -0.392 -4.208 4.320 552 HH2 TRP 71 HH2 TRP 71 -1.148 -2.448 5.884 553 H GLU 72 H GLU 72 -0.178 -11.466 7.137 554 HA GLU 72 HA GLU 72 1.700 -12.224 5.236 555 1HB GLU 72 2HB GLU 72 -0.238 -14.239 6.356 556 2HB GLU 72 3HB GLU 72 1.485 -14.415 6.033 557 1HG GLU 72 2HG GLU 72 0.183 -12.840 8.268 558 2HG GLU 72 3HG GLU 72 1.251 -14.233 8.414 559 H THR 73 H THR 73 -1.691 -11.864 4.934 560 HA THR 73 HA THR 73 -1.930 -13.495 2.529 561 HB THR 73 HB THR 73 -3.826 -11.812 4.169 562 HG1 THR 73 HG1 THR 73 -4.704 -14.221 3.631 563 1HG2 THR 73 1HG2 THR 73 -4.139 -12.861 1.372 564 2HG2 THR 73 2HG2 THR 73 -5.533 -12.823 2.448 565 3HG2 THR 73 3HG2 THR 73 -4.683 -11.328 2.055 566 H VAL 74 H VAL 74 -2.076 -10.102 3.495 567 HA VAL 74 HA VAL 74 -2.397 -9.096 0.829 568 HB VAL 74 HB VAL 74 -2.415 -8.071 3.551 569 1HG1 VAL 74 1HG1 VAL 74 -1.112 -6.390 1.399 570 2HG1 VAL 74 2HG1 VAL 74 -1.690 -5.776 2.948 571 3HG1 VAL 74 3HG1 VAL 74 -0.362 -6.934 2.899 572 1HG2 VAL 74 1HG2 VAL 74 -3.495 -6.956 0.949 573 2HG2 VAL 74 2HG2 VAL 74 -4.313 -8.178 1.923 574 3HG2 VAL 74 3HG2 VAL 74 -4.053 -6.565 2.578 575 H LEU 75 H LEU 75 0.308 -9.494 3.057 576 HA LEU 75 HA LEU 75 2.292 -7.978 1.925 577 1HB LEU 75 2HB LEU 75 2.182 -10.404 3.572 578 2HB LEU 75 3HB LEU 75 3.630 -10.306 2.578 579 HG LEU 75 HG LEU 75 3.762 -9.233 4.897 580 1HD1 LEU 75 1HD1 LEU 75 4.283 -7.321 2.616 581 2HD1 LEU 75 2HD1 LEU 75 5.198 -7.502 4.113 582 3HD1 LEU 75 3HD1 LEU 75 5.261 -8.764 2.884 583 1HD2 LEU 75 1HD2 LEU 75 1.397 -8.076 4.267 584 2HD2 LEU 75 2HD2 LEU 75 2.532 -7.372 5.419 585 3HD2 LEU 75 3HD2 LEU 75 2.498 -6.798 3.752 586 HA PRO 76 HA PRO 76 3.583 -11.805 -0.946 587 1HB PRO 76 2HB PRO 76 1.055 -13.007 -1.640 588 2HB PRO 76 3HB PRO 76 2.457 -13.764 -0.871 589 1HG PRO 76 2HG PRO 76 -0.010 -12.767 0.327 590 2HG PRO 76 3HG PRO 76 1.176 -13.909 0.969 591 1HD PRO 76 2HD PRO 76 0.881 -11.385 1.956 592 2HD PRO 76 3HD PRO 76 2.434 -12.249 1.975 593 H LYS 77 H LYS 77 0.527 -10.021 -1.158 594 HA LYS 77 HA LYS 77 0.705 -9.749 -4.048 595 1HB LYS 77 2HB LYS 77 -1.138 -8.426 -2.039 596 2HB LYS 77 3HB LYS 77 -1.295 -8.339 -3.794 597 1HG LYS 77 2HG LYS 77 -1.830 -10.617 -3.990 598 2HG LYS 77 3HG LYS 77 -1.153 -11.004 -2.409 599 1HD LYS 77 2HD LYS 77 -2.971 -9.790 -1.303 600 2HD LYS 77 3HD LYS 77 -3.631 -9.322 -2.870 601 1HE LYS 77 2HE LYS 77 -4.474 -11.510 -1.506 602 2HE LYS 77 3HE LYS 77 -4.526 -11.393 -3.264 603 1HZ LYS 77 1HZ LYS 77 -2.187 -12.344 -3.193 604 2HZ LYS 77 1HZ LYS 77 -3.454 -13.407 -2.813 605 3HZ LYS 77 3HZ LYS 77 -2.502 -12.741 -1.575 606 H VAL 78 H VAL 78 0.937 -7.611 -1.224 607 HA VAL 78 HA VAL 78 1.527 -5.227 -2.553 608 HB VAL 78 HB VAL 78 2.164 -6.253 0.206 609 1HG1 VAL 78 1HG1 VAL 78 2.845 -3.846 0.693 610 2HG1 VAL 78 2HG1 VAL 78 4.012 -4.784 -0.236 611 3HG1 VAL 78 3HG1 VAL 78 2.969 -3.613 -1.050 612 1HG2 VAL 78 1HG2 VAL 78 0.463 -3.935 -0.745 613 2HG2 VAL 78 2HG2 VAL 78 -0.167 -5.564 -0.513 614 3HG2 VAL 78 3HG2 VAL 78 0.472 -4.664 0.861 615 H GLU 79 H GLU 79 3.783 -7.660 -1.233 616 HA GLU 79 HA GLU 79 6.182 -6.395 -1.828 617 1HB GLU 79 2HB GLU 79 5.734 -8.648 -0.612 618 2HB GLU 79 3HB GLU 79 5.857 -9.360 -2.222 619 1HG GLU 79 2HG GLU 79 8.063 -8.088 -2.464 620 2HG GLU 79 3HG GLU 79 7.962 -7.780 -0.733 621 H ALA 80 H ALA 80 4.136 -8.384 -3.927 622 HA ALA 80 HA ALA 80 5.776 -8.699 -6.130 623 1HB ALA 80 1HB ALA 80 3.376 -9.554 -5.746 624 2HB ALA 80 2HB ALA 80 2.858 -8.010 -6.423 625 3HB ALA 80 3HB ALA 80 3.830 -9.117 -7.393 626 H VAL 81 H VAL 81 3.960 -5.862 -5.116 627 HA VAL 81 HA VAL 81 4.025 -4.308 -7.413 628 HB VAL 81 HB VAL 81 4.470 -3.267 -4.604 629 1HG1 VAL 81 1HG1 VAL 81 4.503 -1.850 -6.900 630 2HG1 VAL 81 2HG1 VAL 81 2.764 -1.902 -6.627 631 3HG1 VAL 81 3HG1 VAL 81 3.824 -1.208 -5.405 632 1HG2 VAL 81 1HG2 VAL 81 1.747 -3.472 -5.816 633 2HG2 VAL 81 2HG2 VAL 81 2.457 -4.953 -5.177 634 3HG2 VAL 81 3HG2 VAL 81 2.231 -3.561 -4.125 635 H PHE 82 H PHE 82 6.394 -4.138 -4.742 636 HA PHE 82 HA PHE 82 8.262 -2.690 -6.431 637 1HB PHE 82 2HB PHE 82 8.865 -3.724 -3.674 638 2HB PHE 82 3HB PHE 82 9.456 -2.259 -4.464 639 HD1 PHE 82 HD1 PHE 82 7.685 -0.460 -5.103 640 HD2 PHE 82 HD2 PHE 82 6.974 -3.634 -2.291 641 HE1 PHE 82 HE1 PHE 82 5.762 0.797 -4.166 642 HE2 PHE 82 HE2 PHE 82 5.056 -2.376 -1.356 643 HZ PHE 82 HZ PHE 82 4.447 -0.163 -2.296 644 H GLU 83 H GLU 83 7.862 -5.074 -7.631 645 HA GLU 83 HA GLU 83 10.514 -6.229 -7.572 646 1HB GLU 83 2HB GLU 83 8.089 -7.787 -6.683 647 2HB GLU 83 3HB GLU 83 9.487 -8.589 -7.397 648 1HG GLU 83 2HG GLU 83 10.840 -7.176 -5.638 649 2HG GLU 83 3HG GLU 83 9.290 -7.084 -4.806 650 H LEU 84 H LEU 84 7.413 -7.578 -8.632 651 HA LEU 84 HA LEU 84 6.617 -8.164 -10.707 652 1HB LEU 84 2HB LEU 84 7.932 -5.535 -11.098 653 2HB LEU 84 3HB LEU 84 7.659 -6.473 -12.563 654 HG LEU 84 HG LEU 84 5.759 -4.950 -12.009 655 1HD1 LEU 84 1HD1 LEU 84 4.650 -7.686 -11.599 656 2HD1 LEU 84 2HD1 LEU 84 4.179 -6.443 -12.757 657 3HD1 LEU 84 3HD1 LEU 84 5.622 -7.418 -13.044 658 1HD2 LEU 84 1HD2 LEU 84 6.143 -5.398 -9.469 659 2HD2 LEU 84 2HD2 LEU 84 4.493 -5.174 -10.049 660 3HD2 LEU 84 3HD2 LEU 84 5.100 -6.798 -9.728 661 H GLU 85 H GLU 85 9.636 -8.727 -9.781 662 HA GLU 85 HA GLU 85 10.996 -9.298 -12.224 663 1HB GLU 85 2HB GLU 85 11.450 -10.110 -9.359 664 2HB GLU 85 3HB GLU 85 12.458 -10.724 -10.670 665 1HG GLU 85 2HG GLU 85 12.763 -8.249 -11.351 666 2HG GLU 85 3HG GLU 85 12.115 -7.863 -9.758 667 H HIS 86 H HIS 86 10.628 -10.869 -13.582 668 HA HIS 86 HA HIS 86 9.227 -13.306 -12.660 669 1HB HIS 86 2HB HIS 86 9.373 -12.065 -15.418 670 2HB HIS 86 3HB HIS 86 8.541 -13.567 -15.022 671 HD1 HIS 86 HD1 HIS 86 7.916 -11.671 -12.151 672 HD2 HIS 86 HD2 HIS 86 6.471 -11.413 -16.053 673 HE1 HIS 86 HE1 HIS 86 5.748 -10.369 -12.028 674 H HIS 87 H HIS 87 9.977 -15.328 -13.422 675 HA HIS 87 HA HIS 87 11.641 -16.864 -13.801 676 1HB HIS 87 2HB HIS 87 11.966 -14.863 -16.021 677 2HB HIS 87 3HB HIS 87 13.078 -16.226 -15.886 678 HD1 HIS 87 HD1 HIS 87 12.317 -18.247 -17.102 679 HD2 HIS 87 HD2 HIS 87 9.086 -15.932 -15.852 680 HE1 HIS 87 HE1 HIS 87 10.233 -19.419 -17.938 681 H HIS 88 H HIS 88 12.369 -15.790 -11.644 682 HA HIS 88 HA HIS 88 14.754 -14.200 -11.695 683 1HB HIS 88 2HB HIS 88 14.809 -14.887 -9.224 684 2HB HIS 88 3HB HIS 88 13.412 -13.961 -9.766 685 HD1 HIS 88 HD1 HIS 88 14.427 -17.584 -9.174 686 HD2 HIS 88 HD2 HIS 88 10.982 -15.247 -9.343 687 HE1 HIS 88 HE1 HIS 88 12.507 -19.100 -8.534 688 H HIS 89 H HIS 89 16.320 -15.263 -12.910 689 HA HIS 89 HA HIS 89 17.084 -17.982 -12.167 690 1HB HIS 89 2HB HIS 89 17.829 -16.109 -14.390 691 2HB HIS 89 3HB HIS 89 18.854 -17.498 -14.026 692 HD1 HIS 89 HD1 HIS 89 16.785 -19.620 -13.332 693 HD2 HIS 89 HD2 HIS 89 16.332 -17.003 -16.548 694 HE1 HIS 89 HE1 HIS 89 15.179 -20.734 -14.943 695 H HIS 90 H HIS 90 17.466 -16.596 -9.987 696 HA HIS 90 HA HIS 90 19.991 -15.268 -9.782 697 1HB HIS 90 2HB HIS 90 18.259 -16.505 -7.622 698 2HB HIS 90 3HB HIS 90 19.599 -15.388 -7.360 699 HD1 HIS 90 HD1 HIS 90 17.924 -14.378 -10.370 700 HD2 HIS 90 HD2 HIS 90 17.202 -13.823 -6.302 701 HE1 HIS 90 HE1 HIS 90 16.341 -12.410 -10.188 702 H HIS 91 H HIS 91 21.960 -16.059 -9.343 703 HA HIS 91 HA HIS 91 22.759 -18.616 -9.901 704 1HB HIS 91 2HB HIS 91 24.776 -18.108 -8.467 705 2HB HIS 91 3HB HIS 91 24.398 -16.887 -9.683 706 HD1 HIS 91 HD1 HIS 91 23.461 -14.612 -8.856 707 HD2 HIS 91 HD2 HIS 91 24.306 -17.288 -5.771 708 HE1 HIS 91 HE1 HIS 91 23.360 -13.281 -6.703